Structure of PDB 1gvy Chain A Binding Site BS01

Receptor Information
>1gvy Chain A (length=376) Species: 155077 (Cellvibrio japonicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KPVTVKLVDSQATMETRSLFAFMQEQRRHSIMFGHQHETTQGLTITRTDG
TQSDTFNAVGDFAAVYGWDTLSIVAPKAEGDIVAQVKKAYARGGIITVSS
HFDNPKTDTQKGVWPVGTSWDQTPAVVDSLPGGAYNPVLNGYLDQVAEWA
NNLKDEQGRLIPVIFRLYHANTGSWFWWGDKQSTPEQYKQLFRYSVEYLR
DVKGVRNFLYAYSPNNFWDVTEANYLERYPGDEWVDVLGFDTYGPVADNA
DWFRNVVANAALVARMAEARGKIPVISEIGIRAPDIEAGLYDNQWYRKLI
SGLKADPDAREIAFLLVWRNAPQGVPGTQVPHYWVPANRPENINNGTLED
FQAFYADEFTAFNRDIEQVYQRPTLI
Ligand information
Ligand IDMBF
InChIInChI=1S/C6H11FO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1H2/t2-,3+,4-,5-,6-/m1/s1
InChIKeyZCXUVYAZINUVJD-AIECOIEWSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)F)O)O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)F)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](F)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@@H](O)[C@@H](F)[C@@H](O)[C@@H]1O
ACDLabs 10.04FC1C(O)C(O)C(OC1O)CO
FormulaC6 H11 F O5
Name2-deoxy-2-fluoro-beta-D-mannopyranose;
2-DEOXY-2-FLUORO-BETA-D-MANNOSE;
2-deoxy-2-fluoro-D-mannose;
2-deoxy-2-fluoro-mannose
ChEMBLCHEMBL1234222
DrugBankDB04483
ZINCZINC000004544633
PDB chain1gvy Chain B Residue 1 [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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PDB1gvy Substrate Distortion by a Beta-Mannanase: Snapshots of the Michaelis and Covalent-Intermediate Complexes Suggest a B2,5 Conformation for the Transition State
Resolution1.7 Å
Binding residue
(original residue number in PDB)		H143 Y285 E320 W360 W379
Binding residue
(residue number reindexed from 1)		H101 Y243 E278 W318 W334
Annotation score1
Enzymatic activity
Enzyme Commision number 3.2.1.78: mannan endo-1,4-beta-mannosidase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0016787 hydrolase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0016985 mannan endo-1,4-beta-mannosidase activity
Biological Process
GO:0000272 polysaccharide catabolic process
GO:0006080 substituted mannan metabolic process
GO:0010391 glucomannan metabolic process
GO:0051069 galactomannan metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1gvy, PDBe:1gvy, PDBj:1gvy
PDBsum1gvy
PubMed12203498
UniProtP49424|MANA_CELJU Mannan endo-1,4-beta-mannosidase (Gene Name=manA)

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