Structure of PDB 4q7i Chain B Binding Site BS01

Receptor Information
>4q7i Chain B (length=290) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNKVGMFYTYWSTEWMVDFPATAKRIAGLGFDLMEISLGEFHNLSDAKKR
ELKAVADDLGLTVMCCIGLKSEYDFASPDKSVRDAGTEYVKRLLDDCHLL
GAPVFAGLTFCAWPQHPPLDMVDKRPYVDRAIESVRRVIKVAEDYGIIYA
LEVVNRYEQWLCNDAKEAIAFADAVDSPACKVQLDTFHMNIEENSFRDAI
LACKGKMGHFHLGEQNRLPPGEGRLPWDEIFGALKEIGYDGTIVMEPFMR
TGGSVSRAVCVWRDLSNGATDEEMDERARRSLQFVRDKLA
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain4q7i Chain B Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4q7i Directed Divergent Evolution of a Thermostable D-Tagatose Epimerase towards Improved Activity for Two Hexose Substrates.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		E152 D185 H211 E246
Binding residue
(residue number reindexed from 1)		E152 D185 H211 E246
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:4q7i, PDBe:4q7i, PDBj:4q7i
PDBsum4q7i
PubMed25655925
UniProtA0A0A6YVN8

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