Structure of PDB 4r9g Chain A Binding Site BS02

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 2 [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)		W86 R139 Q191 N251
Binding residue
(residue number reindexed from 1)		W64 R117 Q169 N229
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links