Structure of PDB 6hbv Chain B Binding Site BS04

Receptor Information
>6hbv Chain B (length=411) Species: 33050 (Sphingopyxis macrogoltabida) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GTRQKDLRERAERVIPGGMYGHESTRLLPPEFPQFFRRALGARIWDADEQ
PYIDYMCAYGPNLLGYRQSEIEAAADAQRLLGDTMTGPSEIMVNLAEAFV
GMVRHADWAMFCKNGSDATSTAMVLARAHTGRKTILCAKGAYHGASPWNT
PHTAGILASDRVHVAYYTYNDAQSLSDAFKAHDGDIAAVFATPFRHEVFE
DQALAQLEFARTARKCCDETGALLVVDDVRAGFRVARDCSWTHLGIEPDL
SCWGKCFANGYPISALLGSNKARDAARDIFVTGSFWFSAVPMAAAIETLR
IIRETPYLETLIASGAALRAGLEAQSQRHGLELKQTGPAQMPQIFFADDP
DFRIGYAWAAACLKGGVYVHPYHNMFLSAAHTVDDVTETLEATDRAFSAV
LRDFASLQPHP
Ligand information
Ligand IDPMP
InChIInChI=1S/C8H13N2O5P/c1-5-8(11)7(2-9)6(3-10-5)4-15-16(12,13)14/h3,11H,2,4,9H2,1H3,(H2,12,13,14)
InChIKeyZMJGSOSNSPKHNH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)OCc1cnc(c(O)c1CN)C
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)CN)O
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(CN)c1O
FormulaC8 H13 N2 O5 P
Name4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE;
PYRIDOXAMINE-5'-PHOSPHATE
ChEMBLCHEMBL1235353
DrugBankDB02142
ZINCZINC000001532708
PDB chain6hbv Chain B Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6hbv Structure of PLP internal aldimine form of Sphingopyxis sp. MTA144 FumI protein
Resolution1.65 Å
Binding residue
(original residue number in PDB)		G118 S119 Y145 H146 D230 V232 R233 K258
Binding residue
(residue number reindexed from 1)		G115 S116 Y142 H143 D227 V229 R230 K255
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y145 D230 K258
Catalytic site (residue number reindexed from 1) Y142 D227 K255
Enzyme Commision number 2.6.1.-
Gene Ontology
Molecular Function
GO:0008483 transaminase activity
GO:0016740 transferase activity
GO:0030170 pyridoxal phosphate binding
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
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Cellular Component
External links
PDB RCSB:6hbv, PDBe:6hbv, PDBj:6hbv
PDBsum6hbv
PubMed
UniProtD2D3B2|FUMI_SPHMC Aminopentol aminotransferase (Gene Name=fumI)

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