Structure of PDB 4nvr Chain A Binding Site BS01
Receptor Information
>4nvr Chain A (length=302) Species:
99287
(Salmonella enterica subsp. enterica serovar Typhimurium str. LT2) [
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TLIECGASPFIPGFALKDVRLENGLTVRVAIGGSGSPLVLLHGHPQNHTT
WRKVAPTLAQNHTVILPDLRGYGDSDKPTSDPAHRTYSKRTMAQDIVMLM
DALGFSRFAFVGHDRGGRVGHRLALDYPDRVTCCTFIDIAPTATMYALTD
KSFATRYFWWFFLIQPFPLPETMIAHDPAFFLRKHISGQLKIEGATSQEA
FNEYLRCYQNPEMIHAICEDYRAAATIDLDDDAADTSARIRCPLQLLWGG
LGTVGQLYNVVGTWKEKALNVQGEALPCGHSPQEECPEYFIQKLQSFLHS
VL
Ligand information
Ligand ID
CA
InChI
InChI=1S/Ca/q+2
InChIKey
BHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
Software
SMILES
CACTVS 3.341
[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0
[Ca+2]
Formula
Ca
Name
CALCIUM ION
ChEMBL
DrugBank
DB14577
ZINC
PDB chain
4nvr Chain A Residue 401 [
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Receptor-Ligand Complex Structure
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PDB
4nvr
2.22 Angstrom Resolution Crystal Structure of a Putative Acyltransferase from Salmonella enterica.
Resolution
2.22 Å
Binding residue
(original residue number in PDB)
T238 E268
Binding residue
(residue number reindexed from 1)
T236 E266
Annotation score
4
Enzymatic activity
Catalytic site (original residue number in PDB)
H46 H115 D116 R117 D140 W161 F182 Y223 G254 H282 S283
Catalytic site (residue number reindexed from 1)
H44 H113 D114 R115 D138 W159 F180 Y221 G252 H280 S281
Enzyme Commision number
?
Gene Ontology
Molecular Function
GO:0016746
acyltransferase activity
GO:0016787
hydrolase activity
GO:0046872
metal ion binding
View graph for
Molecular Function
External links
PDB
RCSB:4nvr
,
PDBe:4nvr
,
PDBj:4nvr
PDBsum
4nvr
PubMed
UniProt
Q8ZRI7
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