Structure of PDB 1xpy Chain A Binding Site BS01

Receptor Information
>1xpy Chain A (length=360) Species: 1299 (Deinococcus radiodurans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RMFKIEAAEIVVARLPLKTHKVVPLLILHGEGVQGVAEGTMEARPMYREE
TIAGALDLLRGTFLPAILGQTFANPEAVSDALGSYRGNRMARAMVEMAAW
DLWARTLGVPLGTLLGGHKEQVEVGVSLGIQADEQATVDLVRRHVEQGYR
RIKLKIKPGWDVQPVRATREAFPDIRLTVDANSAYTLADAGRLRQLDEYD
LTYIEQPLAWDDLVDHAELARRIRTPLCLDESVASASDARKALALGAGGV
INLKVARVGGHAESRRVHDVAQSFGAPVWCGGMLESGIGRAHNIHLSTLS
NFRLPGDTSSASRYWERDLIQEPLEAVDGLMPVPQGPGTGVTLDREFLAT
VTEAQEEHRA
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain1xpy Chain A Residue 1377 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1xpy Structural basis for catalytic racemization and substrate specificity of an N-acylamino acid racemase homologue from Deinococcus radiodurans
Resolution2.3 Å
Binding residue
(original residue number in PDB)		D195 E220
Binding residue
(residue number reindexed from 1)		D180 E205
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) M56 R59 S142 K168 K170 R191 T193 D195 N197 E220 D245 E246 S247 K269 C295 G296 G297 M298 G321 D322 T323
Catalytic site (residue number reindexed from 1) M41 R44 S127 K153 K155 R176 T178 D180 N182 E205 D230 E231 S232 K254 C280 G281 G282 M283 G306 D307 T308
Enzyme Commision number 4.2.1.113: o-succinylbenzoate synthase.
5.1.1.-
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0016829 lyase activity
GO:0016853 isomerase activity
GO:0043748 O-succinylbenzoate synthase activity
GO:0046872 metal ion binding
Biological Process
GO:0009234 menaquinone biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:1xpy, PDBe:1xpy, PDBj:1xpy
PDBsum1xpy
PubMed15313614
UniProtQ9RYA6|NSAR_DEIRA N-succinylamino acid racemase (Gene Name=DR_0044)

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