Structure of PDB 4r9g Chain A Binding Site BS03

Receptor Information
>4r9g Chain A (length=394) Species: 44256 (Caldanaerobius polysaccharolyticus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QVVLTLWYPWAGPDGDAVVSLAKEYSKTHPNVQIKAQMVSGAGIAAKFLS
AVAAGNPPDLVLYWGQDALPGLADQGAIIPLDDYLKDVDTSKFFEAAYNA
MKYKGKIYGLPEMVNVRVLFWNKDLFKQAGLDPNTPPKTIAELDQMAAKL
TKTKNGTIEQMGFIPWIGQGVPHVMAGVFGTSLVDSNGNPILSPDKNPQL
LNLLKWEVSYSDKYGAMNINKFIAGMSQNSSQANDPFVLGKVAMMISGEW
QINANKQYNPKLNFGVGPIPQAPGGKPMPSLMDGNTWMIPKGSKHPQEAM
DFIKWTMDPQRIADTADKVYNIAPIVEAAKIQKLNNDPYFKEVLNVAQKG
SIYYTPAAKGMLSTETAANNAFQAAQYKKSTPEQALKNAQAEAE
Ligand information
Ligand IDBMA
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6-/m1/s1
InChIKeyWQZGKKKJIJFFOK-RWOPYEJCSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC[C@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namebeta-D-mannopyranose;
beta-D-mannose;
D-mannose;
mannose
ChEMBL
DrugBank
ZINCZINC000003830679
PDB chain4r9g Chain C Residue 3 [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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PDB4r9g Structural and Biochemical Basis for Mannan Utilization by Caldanaerobius polysaccharolyticus Strain ATCC BAA-17.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		W25 D29 N137 W272 N307 N343
Binding residue
(residue number reindexed from 1)		W10 D14 N115 W250 N285 N321
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links