Structure of PDB 7q9x Chain CCC Binding Site BS02

Receptor Information
>7q9x Chain CCC (length=455) Species: 243365 (Chromobacterium violaceum ATCC 12472) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RTTSQWRELDAAHHLHPFTDTASLNQAGARVMTRGEGVYLWDSEGNKIID
GMAGLWCVNVGYGRKDFAEAARRQMEELPFYNTFFKTTHPAVVELSSLLA
EVTPAGFDRVFYTNSGSESVDTMIRMVRRYWDVQGKPEKKTLIGRWNGYH
GSTIGGASLGGMKYMHEQGDLPIPGMAHIEQPWWYKHGKDMTPDEFGVVA
ARWLEEKILEIGADKVAAFVGEPIQGAGGVIVPPATYWPEIERICRKYDV
LLVADEVICGFGRTGEWFGHQHFGFQPDLFTAAKGLSSGYLPIGAVFVGK
RVAEGLIAGGDFNHGFTYSGHPVCAAVAHANVAALRDEGIVQRVKDDIGP
YMQKRWRETFSRFEHVDDVRGVGMVQAFTLVKNKAKRELFPDFGEIGTLC
RDIFFRNNLIMRACGDHIVSAPPLVMTRAEVDEMLAVAERCLEEFEQTLK
ARGLA
Ligand information
Ligand IDAN7
InChIInChI=1S/C11H12NO8P/c1-6-10(14)8(2-3-9(13)11(15)16)7(4-12-6)5-20-21(17,18)19/h2-4,14H,5H2,1H3,(H,15,16)(H2,17,18,19)/b3-2+
InChIKeyFYMYHYJKCICXRI-NSCUHMNNSA-N
SMILES
SoftwareSMILES
CACTVS 3.370Cc1ncc(CO[P](O)(O)=O)c(C=CC(=O)C(O)=O)c1O
ACDLabs 12.01O=C(O)C(=O)\C=C\c1c(cnc(c1O)C)COP(=O)(O)O
OpenEye OEToolkits 1.7.0Cc1c(c(c(cn1)COP(=O)(O)O)/C=C/C(=O)C(=O)O)O
OpenEye OEToolkits 1.7.0Cc1c(c(c(cn1)COP(=O)(O)O)C=CC(=O)C(=O)O)O
CACTVS 3.370Cc1ncc(CO[P](O)(O)=O)c(/C=C/C(=O)C(O)=O)c1O
FormulaC11 H12 N O8 P
Name(3E)-4-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}-2-oxobut-3-enoic acid
ChEMBL
DrugBank
ZINCZINC000058631618
PDB chain7q9x Chain DDD Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7q9x Aminotransferase from Chromobacterium violaceum in complex with PLP-pyruvate adduct.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		F88 F320 T321
Binding residue
(residue number reindexed from 1)		F84 F316 T317
Annotation score1
Enzymatic activity
Enzyme Commision number 2.6.1.62: adenosylmethionine--8-amino-7-oxononanoate transaminase.
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:7q9x, PDBe:7q9x, PDBj:7q9x
PDBsum7q9x
PubMed
UniProtQ7NWG4

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