3WJ8A

Crystal structure of dl-2-haloacid dehalogenase mutant with 2-bromo-2-methylpropionate
Knot K +61 +61 41 +31
Knot core range Knot core length Knot tails range Slipknot tails range Slipknot loops range N-end length C-end length Type
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+61 62-279 218 1-61, 280-298 61 19 knot
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+31 121-236 116 1-28, 281-298 29-120, 237-280 28 18 slipknot
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41 125-284 160 1-116, 290-298 117-124, 285-289 116 9 slipknot
Chain Sequence
RSVLGSFPQVDHHQAKGQLAEVYDDIHNTMRVPWVAFGIRVMSQFPHFIPHAWAALKPNIETRYAEDGADLIRLNSIVPGPVMPNPTPKLLRLGWTESKIEELKTALDLLNYGNPKYLILITAFNEAWHERDTGGRAPQKLRGRDAERIPYGLPNSVEKFNLLDIEKASDRTQTVLRDIRDAFLHHGPASNYRVLGVWPDYLEIALRDSLAPVALSAEYDETARRIRKIAREHVKGFDKPAGVAWRDMTEKLSAEQIAGLTGLLFMYNRFIADITIAIIRLKQAFSGPEDATANKYTN
Whole chain analysis
Subchain analysis 

Knotoid cutoff: 0.5


Knotoid matrix content: 1

Knot core range Knot core length Knot tails range Slipknot tails range Slipknot loops range N-end length C-end length Type
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6.1 8-292 285 1-7, 293-298 7 6 knot
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6.1 19-284 266 1-18 291-298 285-290 18 8 slipknot
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5.27 19-276 258 1-10, 283-298 11-18, 277-282 10 16 slipknot
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5.27 20-277 258 1-18, 281-298 19-19, 278-280 18 18 slipknot
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2.1 35-243 209 1-27, 266-298 28-34, 244-265 27 33 slipknot
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2.1 76-242 167 1-59, 271-298 60-75, 243-270 59 28 slipknot
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1.1 69-233 165 1-60, 240-298 61-68, 234-239 60 59 slipknot
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3.1 75-235 161 1-68, 243-298 69-74, 236-242 68 56 slipknot
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3.1 107-237 131 1-74, 270-298 75-106, 238-269 74 29 slipknot
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3.1 107-269 163 1-75, 271-298 76-106, 270-270 75 28 slipknot
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2.1 107-270 164 1-76, 279-298 77-106, 271-278 76 20 slipknot
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2.1 107-278 172 1-76, 281-298 77-106, 279-280 76 18 slipknot
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2.1 105-233 129 1-77, 238-298 78-104, 234-237 77 61 slipknot
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2.1 106-233 128 1-104, 238-298 105-105, 234-237 104 61 slipknot
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1.1 117-235 119 1-105, 243-298 106-116, 236-242 105 56 slipknot
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2.1 120-241 122 1-106, 263-298 107-119, 242-262 106 36 slipknot
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2.1 120-262 143 1-106, 267-298 107-119, 263-266 106 32 slipknot
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2.1 120-266 147 1-106, 268-298 107-119, 267-267 106 31 slipknot
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2.1 121-241 121 1-119, 263-298 120-120, 242-262 119 36 slipknot
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2.1 121-263 143 1-119, 267-298 120-120, 264-266 119 32 slipknot
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2.3 119-270 152 1-106, 281-298 107-118, 271-280 106 18 slipknot
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2.3 119-280 162 1-105, 284-298 106-118, 281-283 105 15 slipknot
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2.1 122-242 121 1-120, 262-298 121-121, 243-261 120 37 slipknot
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2.3 126-279 154 1-118, 298-298 119-125, 280-297 118 1 slipknot
publication title Binding modes of DL-2-haloacid dehalogenase revealed by crystallography, modeling and isotope effects studies.
pubmed doi rcsb
structure length 298
molecule tags Hydrolase
source organism Methylobacterium
sequence length 298
total genus Genus: 114
molecule keywords DL-2-haloacid dehalogenase
ec nomenclature ec 3.8.1.10: 2-haloacid dehalogenase (configuration-inverting).
pdb deposition date 2013-10-07
KnotProt deposition date 2014-08-13

pfam database annotations

chain Pfam Accession Code Pfam Family Identifier Pfam Description
A PF10778 DehI Halocarboxylic acid dehydrogenase DehI
Image from the rcsb pdb (www.rcsb.org)
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