Structure of PDB 4r8d Chain B Binding Site BS01

Receptor Information
>4r8d Chain B (length=365) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PVTLDDLPLRADLRGKAPYGAPQLAVPVRLNTNENPHPPTRALVDDVVRS
VREAAIDLHRYPDRDAVALRADLAGYLTAQTGIQLGVENIWAANGSNEIL
QQLLQAFGGPGRSAIGFVPSYSMHPIISDGTHTEWIEASRANDFGLDVDV
AVAAVVDRKPDVVFIASPNNPSGQSVSLPDLCKLLDVAPGIAIVDEAYGE
FSSQPSAVSLVEEYPSKLVVTRTMSKAFAFAGGRLGYLIATPAVIDAMLL
VRLPYHLSSVTQAAARAALRHSDDTLSSVAALIAERERVTTSLNDMGFRV
IPSDANFVLFGEFADAPAAWRRYLEAGILIRDVGIPGYLRATTGLAEEND
AFLRASARIATDLVP
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 chain4r8d Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4r8d Crystal structure of Rv1600 encoded aminotransferase in complex with PLP-MES from Mycobacterium tuberculosis
Resolution2.05 Å
Binding residue
(original residue number in PDB)		G101 S102 N103 Y127 N176 D201 A203 Y204 T229 S231 K232 R240
Binding residue
(residue number reindexed from 1)		G95 S96 N97 Y121 N170 D195 A197 Y198 T223 S225 K226 R234
Annotation score1
Enzymatic activity
Enzyme Commision number 2.6.1.9: histidinol-phosphate transaminase.
Gene Ontology
Molecular Function
GO:0004400 histidinol-phosphate transaminase activity
GO:0008483 transaminase activity
GO:0016740 transferase activity
GO:0030170 pyridoxal phosphate binding
Biological Process
GO:0000105 L-histidine biosynthetic process
GO:0009058 biosynthetic process
Cellular Component
GO:0005886 plasma membrane
GO:0009274 peptidoglycan-based cell wall

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4r8d, PDBe:4r8d, PDBj:4r8d
PDBsum4r8d
PubMed
UniProtP9WML7|HIS8_MYCTU Histidinol-phosphate aminotransferase (Gene Name=hisC)

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