Structure of PDB 4am9 Chain A Binding Site BS02

Receptor Information
>4am9 Chain A (length=131) Species: 630 (Yersinia enterocolitica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NEISSDTLEQLYSLAFNQYQSGKYEDAHKVFQALCVLDHYDSRFFLGLGA
CRQAMGQYDLAIHSYSYGAVMDIKEPRFPFHAAECLLQKGELAEAESGLF
LAQELIANKPEFKELSTRVSSMLEAIKLKKE
Ligand information
Ligand IDBU3
InChIInChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m1/s1
InChIKeyOWBTYPJTUOEWEK-QWWZWVQMSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C[C@H]([C@@H](C)O)O
CACTVS 3.341C[C@@H](O)[C@@H](C)O
ACDLabs 10.04OC(C)C(O)C
OpenEye OEToolkits 1.5.0CC(C(C)O)O
CACTVS 3.341C[CH](O)[CH](C)O
FormulaC4 H10 O2
Name(R,R)-2,3-BUTANEDIOL
ChEMBL
DrugBank
ZINCZINC000000901616
PDB chain4am9 Chain A Residue 1161 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4am9 Crystal Structure of the Yersinia Enterocolitica Type III Secretion Chaperone Sycd in Complex with a Peptide of the Minor Translocator Yopd
Resolution2.5 Å
Binding residue
(original residue number in PDB)		K51 E53 D54
Binding residue
(residue number reindexed from 1)		K23 E25 D26
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links