Structure of PDB 4r9g Chain B Binding Site BS05
Receptor Information
>4r9g Chain B (length=394) Species:
44256
(Caldanaerobius polysaccharolyticus) [
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QVVLTLWYPWAGPDGDAVVSLAKEYSKTHPNVQIKAQMVSGAGIAAKFLS
AVAAGNPPDLVLYWGQDALPGLADQGAIIPLDDYLKDVDTSKFFEAAYNA
MKYKGKIYGLPEMVNVRVLFWNKDLFKQAGLDPNTPPKTIAELDQMAAKL
TKTKNGTIEQMGFIPWIGQGVPHVMAGVFGTSLVDSNGNPILSPDKNPQL
LNLLKWEVSYSDKYGAMNINKFIAGMSQNSSQANDPFVLGKVAMMISGEW
QINANKQYNPKLNFGVGPIPQAPGGKPMPSLMDGNTWMIPKGSKHPQEAM
DFIKWTMDPQRIADTADKVYNIAPIVEAAKIQKLNNDPYFKEVLNVAQKG
SIYYTPAAKGMLSTETAANNAFQAAQYKKSTPEQALKNAQAEAE
Ligand information
Ligand ID
ZN
InChI
InChI=1S/Zn/q+2
InChIKey
PTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
Software
SMILES
CACTVS 3.341
[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0
[Zn+2]
Formula
Zn
Name
ZINC ION
ChEMBL
CHEMBL1236970
DrugBank
DB14532
ZINC
PDB chain
4r9g Chain B Residue 504 [
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Receptor-Ligand Complex Structure
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PDB
4r9g
Structural and Biochemical Basis for Mannan Utilization by Caldanaerobius polysaccharolyticus Strain ATCC BAA-17.
Resolution
2.2 Å
Binding residue
(original residue number in PDB)
D89 H195 E387
Binding residue
(residue number reindexed from 1)
D67 H173 E365
Annotation score
4
Enzymatic activity
Enzyme Commision number
?
External links
PDB
RCSB:4r9g
,
PDBe:4r9g
,
PDBj:4r9g
PDBsum
4r9g
PubMed
25342756
UniProt
L0E2M2
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