Structure of PDB 7q9x Chain CCC Binding Site BS01

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 CCC 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)		W60 S119 G120 S121 Y153 G155 E226 D259 V261 I262 K288 R416
Binding residue
(residue number reindexed from 1)		W56 S115 G116 S117 Y149 G151 E222 D255 V257 I258 K284 R412
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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