Structure of PDB 3bv0 Chain A Binding Site BS01

Receptor Information
>3bv0 Chain A (length=410) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GLTPEQIIAVDGAHLWHPSPVVAVAAHGAWLTLIRDGQPIEVLDAMSSWW
TAIHGHGHPALDQALTTQLRVMNHVMFGGLTHEPAARLAKLLVDITPAGL
DTVFFSDSGSVSVEVAAKMALQYWRGRGLPGKRRLMTWRGGYHGDTFLAM
SICDPHGGMHSLWTDVLAAQVFAPQVPRDYDPAYSAAFEAQLAQHAGELA
AVVVEPVVQGAGGMRFHDPRYLHDLRDICRRYEVLLIFDEIATGFGRTGA
LFAADHAGVSPDIMCVGKALTGGYLSLAATLCTADVAHTISAGPTFMANP
LACAVSVASVELLLGQDWRTRITELAAGLTAGLDTARALPAVTDVRVCGA
IGVIECDRPVDLAVATPAALDRGVWLRPFRNLVYAMPPYICTPAEITQIT
SAMVEVARLV
Ligand information
Ligand IDPLP
InChIInChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
InChIKeyNGVDGCNFYWLIFO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(C=O)c1O
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O
ACDLabs 10.04O=P(O)(O)OCc1cnc(c(O)c1C=O)C
FormulaC8 H10 N O6 P
NamePYRIDOXAL-5'-PHOSPHATE;
VITAMIN B6 Phosphate
ChEMBLCHEMBL82202
DrugBankDB00114
ZINCZINC000001532514
PDB chain3bv0 Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3bv0 Structural characterization of the Mycobacterium tuberculosis biotin biosynthesis enzymes 7,8-diaminopelargonic acid synthase and dethiobiotin synthetase .
Resolution2.21 Å
Binding residue
(original residue number in PDB)		G124 S125 Y157 H158 G159 E220 D254 I256 K283
Binding residue
(residue number reindexed from 1)		G109 S110 Y142 H143 G144 E205 D239 I241 K268
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y157 E220 D254 A257 K283 Y407
Catalytic site (residue number reindexed from 1) Y142 E205 D239 A242 K268 Y384
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
Biological Process
GO:0009102 biotin biosynthetic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3bv0, PDBe:3bv0, PDBj:3bv0
PDBsum3bv0
PubMed20565114
UniProtP9WQ81|BIOA_MYCTU Adenosylmethionine-8-amino-7-oxononanoate aminotransferase (Gene Name=bioA)

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