Structure of PDB 1kwk Chain A Binding Site BS02

Receptor Information
>1kwk Chain A (length=644) Species: 274 (Thermus thermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLGVCYYPEHWPKERWKEDARRMREAGLSHVRIGEFAWALLEPEPGRLEW
GWLDEAIATLAAEGLKVVLGTPTATPPKWLVDRYPEILPVDREGRRRRFG
GRRHYCFSSPVYREEARRIVTLLAERYGGLEAVAGFQTDNEYGCHDTVRC
YCPRCQEAFRGWLEARYGTIEALNEAWGTAFWSQRYRSFAEVELPHLTVA
EPNPSHLLDYYRFASDQVRAFNRLQVEILRAHAPGKFVTHNFMGFFTDLD
AFALAQDLDFASWDSYPLGFTDLMPLPPEEKLRYARTGHPDVAAFHHDLY
RGVGRGRFWVMEQQPGPVNWAPHNPSPAPGMVRLWTWEALAHGAEVVSYF
RWRQAPFAQEQMHAGLHRPDSAPDQGFFEAKRVAEELAALALPPVAQAPV
ALVFDYEAAWIYEVQPQGAEWSYLGLVYLFYSALRRLGLDVDVVPPGASL
RGYAFAVVPSLPIVREEALEAFREAEGPVLFGPRSGSKTETFQIPKELPP
GPLQALLPLKVVRVESLPPGLLEVAEGALGRFPLGLWREWVEAPLKPLLT
FQDGKGALYREGRYLYLAAWPSPELAGRLLSALAAEAGLKVLSLPEGLRL
RRRGTWVFAFNYGPEAVEAPASEGARFLLGSRRVGPYDLAVWEE
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 chain1kwk Chain A Residue 806 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1kwk Trimeric crystal structure of the glycoside hydrolase family 42 beta-galactosidase from Thermus thermophilus A4 and the structure of its complex with galactose.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		C106 C152
Binding residue
(residue number reindexed from 1)		C106 C152
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.23: beta-galactosidase.
Gene Ontology
Molecular Function
GO:0004565 beta-galactosidase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0006012 galactose metabolic process
Cellular Component
GO:0009341 beta-galactosidase complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1kwk, PDBe:1kwk, PDBj:1kwk
PDBsum1kwk
PubMed12215416
UniProtO69315|BGAL_THETH Beta-galactosidase

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