Structure of PDB 4r9f Chain A Binding Site BS02

Receptor Information
>4r9f Chain A (length=402) Species: 44256 (Caldanaerobius polysaccharolyticus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KQVVLTLWYPWAGPDGDAVVSLAKEYSKTHPNVQIKAQMVSGAGIAATQG
GGQGKFLSAVAAGNPPDLVLYWGQDALPGLADQGAIIPLDDYLKDVDTSK
FFEAAYNAMKYKGKIYGLPEMVNVRVLFWNKDLFKQAGLDPNTPPKTIAE
LDQMAAKLTKTKNGTIEQMGFIPWIGQGVPHVMAGVFGTSLVDSNGNPIL
SPDKNPQLLNLLKWEVSYSDKYGAMNINKFIAGMSQNSSQANDPFVLGKV
AMMISGEWQINANKQYNPKLNFGVGPIPQAPGGKPMPSLMDGNTWMIPKG
SKHPQEAMDFIKWTMDPQRIADTADKVYNIAPIVEAAKIQKLNNDPYFKE
VLNVAQKGSIYYTPAAKGMLSTETAANNAFQAAQYKKSTPEQALKNAQAE
AE
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 chain4r9f Chain B 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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PDB4r9f Structural and Biochemical Basis for Mannan Utilization by Caldanaerobius polysaccharolyticus Strain ATCC BAA-17.
Resolution1.4 Å
Binding residue
(original residue number in PDB)		W25 D29 N137 W272 N307 N343
Binding residue
(residue number reindexed from 1)		W11 D15 N123 W258 N293 N329
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links