Structure of PDB 8iof Chain C Binding Site BS01

Receptor Information
>8iof Chain C (length=792) Species: 1609975 (Clostridium sp. FS41) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SKDYMKRIQALRENYMSRRVEMDILDAYYVTQGFKATEGQPWQIQKAVAM
KTVYENKPIFIQDHELLVGGVAFKPRAGILNPDSACSVIEKELDTISTRK
YDPFYLSEENKKLFMEEVAPYWRGKCVLDRWNAMMPEDVRTMRDGGMLYV
DKKFVRGYGENTPGWRTLLAKGITGIKKEAEEKLAALDDAHGEDVLKQII
FYKSLIISAEGIIALANRHADLAEKMAEKEADEKRRAELLKIAEVNRNVP
ANPPRNFYEALQSMLTYEFCIFMEQNASSYNLGRMDQYLIQYYEKDLADG
TMTQDEAQELMDCFWIKISEMGLFQDGESAAFSAGYNMTVQVCAGGIDQY
GNDAVNDLSYMTIQATQDTALKEPNMTVRYSISKNPDSFLRKAAECIRMG
RTMPAVYHDDAGIKMLLNKGIPMSQAWDWTPCGCVETNLEGRLKSYTDIG
EISMGGVVDMVMNNGRSRKTGEQISIRTGDPRDFKTFDDFMAAVKKQIDH
FVHTMATMNSYLDYLSENYRPVPALSLTYPNCMAVGKDYANGGAEFNVGN
GINIIGQADIINSVADIKYLVFDEKKISMDELCRALDADFEGYEHIHKMC
MDAPKYGNDDPKADFCVGEIYNYLVDQIEQYDSPFGKLTAGMLPVSGNVP
IGQSVGALPSGRKAWTPLADGIGATGGTDINGATALLKSISNLPHARFTQ
GTQMNLKIDPKLLEGERGLNSMMVLLKTQCTLDIYHTQYNVINPEILMDA
QKNPGDHKDLLVRVAGYTAFFVELGKDIQDDIIQRTEIENWG
Ligand information
Ligand ID87I
InChIInChI=1S/C6H11NO3/c1-7-3-4(8)2-5(7)6(9)10/h4-5,8H,2-3H2,1H3,(H,9,10)/t4-,5-/m1/s1
InChIKeyFMIPNAUMSPFTHK-RFZPGFLSSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CN1CC(CC1C(=O)O)O
CACTVS 3.385CN1C[CH](O)C[CH]1C(O)=O
CACTVS 3.385CN1C[C@H](O)C[C@@H]1C(O)=O
OpenEye OEToolkits 2.0.7CN1C[C@@H](C[C@@H]1C(=O)O)O
FormulaC6 H11 N O3
Name(2R,4R)-1-methyl-4-hydroxyl-pyrrolidine-2-carboxylic acid
ChEMBL
DrugBank
ZINC
PDB chain8iof Chain C Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8iof Crystal structure of N-methyl-Cis-4-hydroxy-D-proline dehydratase in Clostridium sp. FS41
Resolution2.33 Å
Binding residue
(original residue number in PDB)		K153 R157 E161 S279 E437 D449 L644 V646
Binding residue
(residue number reindexed from 1)		K152 R156 E160 S278 E436 D448 L643 V645
Annotation score1
Enzymatic activity
Enzyme Commision number 4.1.99.11: benzylsuccinate synthase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0016829 lyase activity
GO:0018805 benzylsuccinate synthase activity
Cellular Component
GO:0005829 cytosol

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:8iof, PDBe:8iof, PDBj:8iof
PDBsum8iof
PubMed
UniProtA0A0F0CL90

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