Structure of PDB 1j0a Chain A Binding Site BS01

Receptor Information
>1j0a Chain A (length=325) Species: 70601 (Pyrococcus horikoshii OT3) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MHPKIFALLAKFPRVELIPWETPIQYLPNISREIGADVYIKRDDLTGLGI
GGNKIRKLEYLLGDALSKGADVVITVGAVHSNHAFVTGLAAKKLGLDAIL
VLRGKEELKGNYLLDKIMGIETRVYDAKDSFELMKYAEEIAEELKREGRK
PYVIPPGGASPIGTLGYVRAVGEIATQSEVKFDSIVVAAGSGGTLAGLSL
GLSILNEDIRPVGIAVGRFGEVMTSKLDNLIKEAAELLGVKVEVRPELYD
YSFGEYGKITGEVAQIIRKVGTREGIILDPVYTGKAFYGLVDLARKGELG
EKILFIHTGGISGTFHYGDKLLSLL
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 chain1j0a Chain A Residue 401 [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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PDB1j0a Structural and enzymatic properties of 1-aminocyclopropane-1-carboxylate deaminase homologue from Pyrococcus horikoshii
Resolution2.5 Å
Binding residue
(original residue number in PDB)		N53 K54 K57 N82 G190 S191 G192 G193 T194 Y282 T308 G309 G310
Binding residue
(residue number reindexed from 1)		N53 K54 K57 N82 G190 S191 G192 G193 T194 Y282 T308 G309 G310
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K54 Y256 Y282
Catalytic site (residue number reindexed from 1) K54 Y256 Y282
Enzyme Commision number 3.5.99.7: 1-aminocyclopropane-1-carboxylate deaminase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0008660 1-aminocyclopropane-1-carboxylate deaminase activity
GO:0016787 hydrolase activity
GO:0019148 D-cysteine desulfhydrase activity

View graph for
Molecular Function
External links
PDB RCSB:1j0a, PDBe:1j0a, PDBj:1j0a
PDBsum1j0a
PubMed15328614
UniProtO57809|1A1D_PYRHO Putative 1-aminocyclopropane-1-carboxylate deaminase (Gene Name=PH0054)

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