Structure of PDB 1k1d Chain D Binding Site BS02

Receptor Information
>1k1d Chain D (length=460) Species: 1422 (Geobacillus stearothermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTKIIKNGTIVTATDTYEAHLLIKDGKIAMIGQNLEEKGAEVIDAKGCYV
FPGGIDPHTHLDMPLGGTVTKDDFESGTIAAAFGGTTTIIDFCLTNKGEP
LKKAIETWHNKANGKAVIDYGFHLMISEITDDVLEELPKVLEEEGITSLK
VFMAYKNVFQADDGTLYCTLLAAKELGALVMVHAENGDVIDYLTKKALAD
GNTDPIYHALTRPPELEGEATGRACQLTELAGSQLYVVHVTCAQAVEKIA
EARNKGLDVWGETCPQYLVLDQSYLEKPNFEGAKYVWSPPLREKWHQEVL
WNALKNGQLQTLGSDQCSFDFKGQKELGRGDFTKIPNGGPIIEDRVSILF
SEGVKKGRITLNQFVDIVSTRIAKLFGLFPKKGTIVVGSDADLVIFDPNI
ERVISAETHHMAVDYNAFEGMKVTGEPVSVLCRGEFVVRDKQFVGKPGYG
QYLKRAKYGT
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain1k1d Chain D Residue 502 [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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PDB1k1d Crystal structure of D-hydantoinase from Bacillus stearothermophilus: insight into the stereochemistry of enantioselectivity.
Resolution3.01 Å
Binding residue
(original residue number in PDB)		H58 H60 K150 D315
Binding residue
(residue number reindexed from 1)		H58 H60 K150 D315
Annotation score4
Enzymatic activity
Enzyme Commision number 3.5.2.-
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0016810 hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds
GO:0046872 metal ion binding
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:1k1d, PDBe:1k1d, PDBj:1k1d
PDBsum1k1d
PubMed12135362
UniProtQ45515|HYDA_GEOSE D-hydantoinase

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