Structure of PDB 2iss Chain A Binding Site BS01

Receptor Information
>2iss Chain A (length=281) Species: 2336 (Thermotoga maritima) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMEIKKGTWIIKKGFAEMFKGGVIMDVTSAEQAKIAEEAGAVAVMALERV
PADIRKEGGVARMASIAKIREIMEAVSIPVMAKVRIGHIAEAKILEELGV
DFIDESEVLTPADDRFHINKHEFKVPFVCGARDLGEALRRIAEGAAMIRT
KGEAGTGNVVEAVKHMRRVMEQIKQVTKMEDEELVAYGKEIGAPVELLRE
VKRLGRLPVVNFAAGGVATPADAALMMMLGADGVFVGSGIFKSKDPRKMA
KAMVLAVTYWDNPRILLKISEDIGEPMRGLD
Ligand information
Ligand ID5RP
InChIInChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h4-6,8-9H,1-2H2,(H2,10,11,12)/t4-,5+/m1/s1
InChIKeyFNZLKVNUWIIPSJ-UHNVWZDZSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OCC(=O)[C@H](O)[C@H](O)CO[P](O)(O)=O
OpenEye OEToolkits 1.5.0C(C(C(C(=O)CO)O)O)OP(=O)(O)O
CACTVS 3.341OCC(=O)[CH](O)[CH](O)CO[P](O)(O)=O
ACDLabs 10.04O=P(O)(O)OCC(O)C(O)C(=O)CO
OpenEye OEToolkits 1.5.0C([C@H]([C@H](C(=O)CO)O)O)OP(=O)(O)O
FormulaC5 H11 O8 P
NameRIBULOSE-5-PHOSPHATE
ChEMBL
DrugBank
ZINCZINC000001532567
PDB chain2iss Chain A Residue 294 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2iss Structural Insights into the Mechanism of the PLP Synthase Holoenzyme from Thermotoga maritima
Resolution2.9 Å
Binding residue
(original residue number in PDB)		D25 P50 K82 D103 R148 A153 G154 G214 G215 G236 S237
Binding residue
(residue number reindexed from 1)		D26 P51 K83 D104 R149 A154 G155 G215 G216 G237 S238
Annotation score2
Enzymatic activity
Enzyme Commision number 4.3.3.6: pyridoxal 5'-phosphate synthase (glutamine hydrolyzing).
Gene Ontology
Molecular Function
GO:0016829 lyase activity
GO:0016843 amine-lyase activity
GO:0036381 pyridoxal 5'-phosphate synthase (glutamine hydrolysing) activity
Biological Process
GO:0006520 amino acid metabolic process
GO:0008615 pyridoxine biosynthetic process
GO:0042819 vitamin B6 biosynthetic process
GO:0042823 pyridoxal phosphate biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2iss, PDBe:2iss, PDBj:2iss
PDBsum2iss
PubMed17144654
UniProtQ9WYU4|PDXS_THEMA Pyridoxal 5'-phosphate synthase subunit PdxS (Gene Name=pdxS)

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