Structure of PDB 3amg Chain A Binding Site BS01

Receptor Information
>3amg Chain A (length=311) Species: 243274 (Thermotoga maritima MSB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GVDPFERNKILGRGINIGNALEAPNEGDWGVVIKDEFFDIIKEAGFSHVR
IPIRWSTHAYAFPPYKIMDRFFKRVDEVINGALKRGLAVVINIHHYEELM
NDPEEHKERFLALWKQIADRYKDYPETLFFEILNAPHGNLTPEKWNELLE
EALKVIRSIDKKHTIIIGTAEWGGISALEKLSVPKWEKNSIVTIHYYNPF
EFTHQGAEWVEGSEKWLGRKWGSPDDQKHLIEEFNFIEEWSKKNKRPIYI
GEFGAYRKADLESRIKWTSFVVREMEKRRWSWAYWEFCSGFGVYDTLRKT
WNKDLLEALIG
Ligand information
Ligand IDBGC
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-VFUOTHLCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namebeta-D-glucopyranose;
beta-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL1614854
DrugBankDB02379
ZINCZINC000003833800
PDB chain3amg Chain A Residue 400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3amg Diverse substrate recognition mechanism revealed by Thermotoga maritima Cel5A structures in complex with cellotetraose, cellobiose and mannotriose
Resolution2.4 Å
Binding residue
(original residue number in PDB)		N135 H196 H205 W210 E253 W286
Binding residue
(residue number reindexed from 1)		N134 H195 H204 W209 E252 W285
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.4: cellulase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0008422 beta-glucosidase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
Biological Process
GO:0000272 polysaccharide catabolic process
GO:0009251 glucan catabolic process
Cellular Component
GO:0005576 extracellular region
GO:0009986 cell surface

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3amg, PDBe:3amg, PDBj:3amg
PDBsum3amg
PubMed21839861
UniProtQ9X273

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