5E2S | KnotProt

Genus: 77
Alphaknot: P00918

Slipknot S +3₁

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setting document base to "https://knotprot.cent.uw.edu.pl/view/5e2s/A/"

Jmol Version: 14.29.13 2018-04-17 17:17

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Jmol getValue bgcolor white

backgroundColor = "white"

Jmol getValue ANIMFRAMECallback null

Jmol getValue APPLETREADYCallback Jmol._readyCallback

APPLETREADYCallback = "Jmol._readyCallback"

callback set for APPLETREADYCallback Jmol._readyCallback APPLETREADY

Jmol getValue ATOMMOVEDCallback null

Jmol getValue AUDIOCallback null

Jmol getValue CLICKCallback null

Jmol getValue DRAGDROPCallback null

Jmol getValue ECHOCallback null

Jmol getValue ERRORCallback null

Jmol getValue EVALCallback null

Jmol getValue HOVERCallback null

Jmol getValue IMAGECallback null

Jmol getValue LOADSTRUCTCallback null

Jmol getValue MEASURECallback null

Jmol getValue MESSAGECallback null

Jmol getValue MINIMIZATIONCallback null

Jmol getValue SERVICECallback null

Jmol getValue PICKCallback null

Jmol getValue RESIZECallback null

Jmol getValue SCRIPTCallback null

Jmol getValue SYNCCallback null

Jmol getValue STRUCTUREMODIFIEDCallback null

Jmol getValue doTranslate null

language=en_US

Jmol getValue popupMenu null

Jmol getValue script null

Jmol getValue loadInline null

Jmol getValue load null

Jmol applet jmolApplet1__335493879231115__ ready

Help Knotting data interpretation Full screen

					Knot core range	Knot core length	Knot tails range	Slipknot tails range	Slipknot loops range	N-end length	C-end length	Type
view details				+3₁	27-254	228	255-259	1-1	2-26	1	4	slipknot

Chain Sequence

HHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK

Note, that the numbers in the matrix denote the consecutive residues in the loop, not the index of amino acids in the chain!

Knot K 3x +3₁

loadScript /static/js/j2s/core/package.js

loadScript /static/js/j2s/core/corejmol.z.js

loadScript /static/js/j2s/core/corescript.z.js

JSmol exec jmolApplet0 start applet null

Jmol JavaScript applet jmolApplet0__335493879231115__ initializing

Jmol getValue debug null

Jmol getValue logLevel null

Jmol getValue allowjavascript null

AppletRegistry.checkIn(jmolApplet0__335493879231115__)

vwrOptions:

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setting document base to "https://knotprot.cent.uw.edu.pl/view/5e2s/A/"

Jmol Version: 14.29.13 2018-04-17 17:17

java.vendor: Java2Script (HTML5)

java.version: 2018-01-28 23:38:52 (JSmol/j2s)

os.name: Mozilla/5.0 AppleWebKit/537.36 (KHTML, like Gecko; compatible; ClaudeBot/1.0; +claudebot@anthropic.com)

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memory: 0.0/0.0

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appletId:jmolApplet0 (signed)

Jmol getValue emulate null

defaults = "Jmol"

Jmol getValue boxbgcolor null

Jmol getValue bgcolor white

backgroundColor = "white"

Jmol getValue ANIMFRAMECallback null

Jmol getValue APPLETREADYCallback Jmol._readyCallback

APPLETREADYCallback = "Jmol._readyCallback"

callback set for APPLETREADYCallback Jmol._readyCallback APPLETREADY

Jmol getValue ATOMMOVEDCallback null

Jmol getValue AUDIOCallback null

Jmol getValue CLICKCallback null

Jmol getValue DRAGDROPCallback null

Jmol getValue ECHOCallback null

Jmol getValue ERRORCallback null

Jmol getValue EVALCallback null

Jmol getValue HOVERCallback null

Jmol getValue IMAGECallback null

Jmol getValue LOADSTRUCTCallback null

Jmol getValue MEASURECallback null

Jmol getValue MESSAGECallback null

Jmol getValue MINIMIZATIONCallback null

Jmol getValue SERVICECallback null

Jmol getValue PICKCallback null

Jmol getValue RESIZECallback null

Jmol getValue SCRIPTCallback null

Jmol getValue SYNCCallback null

Jmol getValue STRUCTUREMODIFIEDCallback null

Jmol getValue doTranslate null

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Jmol getValue popupMenu null

Jmol getValue script null

Jmol getValue loadInline null

Jmol getValue load null

Jmol applet jmolApplet0__335493879231115__ ready

script 1 started

platformSpeed = 8

Viewer cachePut cache://localLOAD_/static/knot_data/5e2s/A/5e2s_A.pdb.gz

Viewer cachePut https://knotprot.cent.uw.edu.pl/static/knot_data/5e2s/A/5e2s_A.pdb.gz

Viewer cachePut cache://localLOAD_/static/knot_data/5e2s/A/5e2s_A.pdb.gz

Viewer cachePut https://knotprot.cent.uw.edu.pl/static/knot_data/5e2s/A/5e2s_A.pdb.gz

Viewer cachePut cache://localLOAD_/static/knot_data/5e2s/A/5e2s_A.pdb.gz

Viewer cachePut https://knotprot.cent.uw.edu.pl/static/knot_data/5e2s/A/5e2s_A.pdb.gz

FileManager.getAtomSetCollectionFromFile(/static/knot_data/5e2s/A/5e2s_A.pdb.gz)

The Resolver thinks Pdb

loadScript /static/js/j2s/core/corebio.z.js

Time for openFile(/static/knot_data/5e2s/A/5e2s_A.pdb.gz): 757 ms

reading 258 atoms

ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false

1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them.

Default Van der Waals type for model set to Jmol

258 atoms created

ModelSet: autobonding; use autobond=false to not generate bonds automatically

Time for creating model: 46 ms

Adding embedded #jmolscript: select ({0:257});backbone only;select *;

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loadScript /static/js/j2s/core/corescriptcmd.z.js

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Script completed

Jmol script terminated

loadScript /static/js/j2s/J/g3d/HermiteRenderer.js

loadScript /static/js/j2s/J/renderbio/BioMeshRenderer.js

loadScript /static/js/j2s/J/render/MeshRenderer.js

loadScript /static/js/j2s/J/shape/Mesh.js

FileManager.getAtomSetCollectionFromFile(/static/knot_data/5e2s/A/5e2s_A.pdb.gz)

The Resolver thinks Pdb

Time for openFile(/static/knot_data/5e2s/A/5e2s_A.pdb.gz): 24 ms

reading 258 atoms

ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false

1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them.

Default Van der Waals type for model set to Jmol

258 atoms created

ModelSet: autobonding; use autobond=false to not generate bonds automatically

Time for creating model: 33 ms

Adding embedded #jmolscript: select ({0:257});backbone only;select *;

platformSpeed = 7

cartoonsFancy = true

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Script completed

Jmol script terminated

FileManager.getAtomSetCollectionFromFile(/static/knot_data/5e2s/A/5e2s_A.pdb.gz)

The Resolver thinks Pdb

Time for openFile(/static/knot_data/5e2s/A/5e2s_A.pdb.gz): 19 ms

reading 258 atoms

ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false

1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them.

Default Van der Waals type for model set to Jmol

258 atoms created

ModelSet: autobonding; use autobond=false to not generate bonds automatically

Time for creating model: 24 ms

Adding embedded #jmolscript: select ({0:257});backbone only;select *;

platformSpeed = 7

cartoonsFancy = true

sheetSmoothing = 1.0

traceAlpha = true

specularPower = 9

ambientPercent = 20

antialiasDisplay = true

FileManager.getAtomSetCollectionFromFile(/static/knot_data/5e2s/A/5e2s_A.pdb.gz)

The Resolver thinks Pdb

Time for openFile(/static/knot_data/5e2s/A/5e2s_A.pdb.gz): 15 ms

reading 258 atoms

ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false

1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them.

Default Van der Waals type for model set to Jmol

258 atoms created

ModelSet: autobonding; use autobond=false to not generate bonds automatically

Time for creating model: 16 ms

Adding embedded #jmolscript: select ({0:257});backbone only;select *;

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specularPower = 1

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Script completed

Jmol script terminated

Help Knotting data interpretation Full screen

		Knot core range	Knot core length	Knot tails range	Slipknot tails range	Slipknot loops range	N-end length	C-end length	Type
view details	+ 3₁	23-255	233	1-22, 256-259			22	4	knot
view details	+ 3₁	25-235	211	236-238	1-1	2-24	1	2	slipknot
view details	+ 3₁	25-232	208	1-24, 233-236			24	4	knot

	Fingerprint	Knot forming loop	Loop type
knots details	K +3₁	Chain closureHis3 <-> Lys261 ... His96 <-> Bridging ionZn301 <-> His94 ... His3	probabilistic	color sequence
knots details	K +3₁	His3 ... His96 <-> Bridging ionZn301 <-> His119 ... Chain closureLys261 <-> His3	probabilistic	color sequence
knots details	K +3₁	His3 ... His94 <-> Bridging ionZn301 <-> His119 ... Chain closureLys261 <-> His3	probabilistic	color sequence

Chain Sequence

Whole chain analysis

Help Knotoid data interpretation Full screen

Subchain analysis

Knotoid cutoff: 0.5

Knotoid matrix content: 1

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Jmol JavaScript applet jmolApplet2__335493879231115__ initializing

Jmol getValue debug null

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Jmol getValue allowjavascript null

AppletRegistry.checkIn(jmolApplet2__335493879231115__)

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setting document base to "https://knotprot.cent.uw.edu.pl/view/5e2s/A/"

Jmol Version: 14.29.13 2018-04-17 17:17

java.vendor: Java2Script (HTML5)

java.version: 2018-01-28 23:38:52 (JSmol/j2s)

os.name: Mozilla/5.0 AppleWebKit/537.36 (KHTML, like Gecko; compatible; ClaudeBot/1.0; +claudebot@anthropic.com)

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memory: 0.0/0.0

processors available: 1

useCommandThread: false

appletId:jmolApplet2 (signed)

Jmol getValue emulate null

defaults = "Jmol"

Jmol getValue boxbgcolor null

Jmol getValue bgcolor white

backgroundColor = "white"

Jmol getValue ANIMFRAMECallback null

Jmol getValue APPLETREADYCallback Jmol._readyCallback

APPLETREADYCallback = "Jmol._readyCallback"

callback set for APPLETREADYCallback Jmol._readyCallback APPLETREADY

Jmol getValue ATOMMOVEDCallback null

Jmol getValue AUDIOCallback null

Jmol getValue CLICKCallback null

Jmol getValue DRAGDROPCallback null

Jmol getValue ECHOCallback null

Jmol getValue ERRORCallback null

Jmol getValue EVALCallback null

Jmol getValue HOVERCallback null

Jmol getValue IMAGECallback null

Jmol getValue LOADSTRUCTCallback null

Jmol getValue MEASURECallback null

Jmol getValue MESSAGECallback null

Jmol getValue MINIMIZATIONCallback null

Jmol getValue SERVICECallback null

Jmol getValue PICKCallback null

Jmol getValue RESIZECallback null

Jmol getValue SCRIPTCallback null

Jmol getValue SYNCCallback null

Jmol getValue STRUCTUREMODIFIEDCallback null

Jmol getValue doTranslate null

language=en_US

Jmol getValue popupMenu null

Jmol getValue script null

Jmol getValue loadInline null

Jmol getValue load null

Jmol applet jmolApplet2__335493879231115__ ready

Help Knotoid subchains data interpretation Full screen

					Knot core range	Knot core length	Knot tails range	Slipknot tails range	Slipknot loops range	N-end length	C-end length	Type
view details				3.1	27-257	231	1-26, 258-258			26	1	knot
view details				2.1	25-252	228	1-24	258-258	253-257	24	1	slipknot

sequence length	258
structure length	258
publication title	4-Arylbenzenesulfonamides as Human Carbonic Anhydrase Inhibitors (hCAIs): Synthesis by Pd Nanocatalyst-Mediated Suzuki-Miyaura Reaction, Enzyme Inhibition, and X-ray Crystallographic Studies. pubmed doi rcsb
molecule tags	Lyase
molecule keywords	Carbonic anhydrase 2
source organism	Homo sapiens
total genus	Genus: 77
ec nomenclature
pdb deposition date	2015-10-01
KnotProt deposition date	2018-10-20

Image from the rcsb pdb (www.rcsb.org)

1AM6A 1AVNA 1BCDA 1BN1A 1BN3A 1BN4A 1BNMA 1BNNA 1BNQA
similar chains in the KnotProt database (40% sequence similarity)

None
similar chains in the pdb database (40% sequence similarity)

#similar chains in the KnotProt database (40% sequence similarity)
1AM6 A; 1AVN A; 1BCD A; 1BN1 A; 1BN3 A; 1BN4 A; 1BNM A; 1BNN A; 1BNQ A; 
#similar chains, but unknotted

#similar chains in the pdb database (40% sequence similarity)

5E2SA

Slipknot S +31

Chain Sequence

Knot K 3x +31

Chain Sequence

Slipknot S +3₁

Knot K 3x +3₁