Structure of PDB 4a6r Chain A Binding Site BS01

Receptor Information
>4a6r Chain A (length=423) Species: 536 (Chromobacterium violaceum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RVMTRGEGVYLWDSEGNKIIDGMAGLWCVNVGYGRKDFAEAARRQMEELP
FYNTFFKTTHPAVVELSSLLAEVTPAGFDRVFYTNSGSESVDTMIRMVRR
YWDVQGKPEKKTLIGRWNGYHGSTIGGASLGGMKYMHDLPIPGMAHIEQP
WWYKHGKDMTPDEFGVVAARWLEEKILEIGADKVAAFVGEPIQGAGGVIV
PPATYWPEIERICRKYDVLLVADEVICGFGRTGEWFGHQHFGFQPDLFTA
AKGLSSGYLPIGAVFVGKRVAEGLIAGGDFNHGFTYSGHPVCAAVAHANV
AALRDEGIVQRVKDDIGPYMQKRWRETFSRFEHVDDVRGVGMVQAFTLVK
NKAKRELFPDFGEIGTLCRDIFFRNNLIMRACGDHIVSAPPLVMTRAEVD
EMLAVAERCLEEFEQTLKARGLA
Ligand information
Ligand IDTA8
InChIInChI=1S/C12H18O8/c1-6(10(15)16)4-8(12(19)20)5-7(11(17)18)2-3-9(13)14/h6-8H,2-5H2,1H3,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/t6-,7-,8-/m0/s1
InChIKeyUEYGDIASMOPQFG-FXQIFTODSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2CC(CC(CC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O
OpenEye OEToolkits 1.9.2C[C@@H](C[C@@H](C[C@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O
CACTVS 3.385C[C@@H](C[C@@H](C[C@H](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O
ACDLabs 12.01O=C(O)C(CC(C(=O)O)CCC(=O)O)CC(C(=O)O)C
CACTVS 3.385C[CH](C[CH](C[CH](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O
FormulaC12 H18 O8
NamePOLYACRYLIC ACID;
OCTANE-1,3,5,7-TETRACARBOXYLIC ACID
ChEMBL
DrugBank
ZINCZINC000095920536
PDB chain4a6r Chain A Residue 1460 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4a6r Crystal Structures of the Chromobacterium Violaceum Omega-Transaminase Reveal Major Structural Rearrangements Upon Binding of Coenzyme Plp.
Resolution1.349 Å
Binding residue
(original residue number in PDB)		S119 S121 Y153 S156 T157
Binding residue
(residue number reindexed from 1)		S86 S88 Y120 S123 T124
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y153 E226 D259 I262 K288 V423
Catalytic site (residue number reindexed from 1) Y120 E190 D223 I226 K252 V387
Enzyme Commision number '2.6.1.18
2.6.1.62'
Gene Ontology
Molecular Function
GO:0004015 adenosylmethionine-8-amino-7-oxononanoate transaminase activity
GO:0008483 transaminase activity
GO:0030170 pyridoxal phosphate binding
GO:0042802 identical protein binding
Cellular Component
GO:0005829 cytosol

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:4a6r, PDBe:4a6r, PDBj:4a6r
PDBsum4a6r
PubMed22268978
UniProtQ7NWG4

[Back to BioLiP]