Structure of PDB 6gio Chain A Binding Site BS01

Receptor Information
>6gio Chain A (length=433) Species: 529 (Brucella anthropi) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LSLRERDARVIAEIGRLRFSPLSLIGGKGNRLIEEGGRSILDLSGSAGPA
ALGYGHPAIVEAVEKSVRDMAGASLLLYPNEAAVSLAEDLLRITPGNGER
RVWFGHSGSDANDCAVRVLTAATKRSRIISFIGSYHGNLTGSMGISGHTA
MTHTLPRPGVLLLPYPDPFRPRFSAEAVLELLDYHFATSCPPEQVAAVFI
EPILSDGGLVVPPPAFLEALQDRCRKHGILVVVDEVKVGLGRTGLMHCFQ
HEGLEPDMVVFGKGLGGGLPLSAVVGPQWVMDHAPAFVLQTTAGNPVATA
AGRAVLNTIERQGLAQRSERVGGIFADRLRRLSDKHSIIGDVRGRGLAIG
VDLVSDRGSREPAPVTTTAKIIYRGYQLGAAFTYVGLNANVLEFMPPLTL
TEPEIDEAADIVDQAIGDVLDGKVADSDVAHFM
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 chain6gio 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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PDB6gio An Aminocaprolactam Racemase from Ochrobactrum anthropi with Promiscuous Amino Acid Ester Racemase Activity.
Resolution1.87 Å
Binding residue
(original residue number in PDB)		S111 G112 S113 Y139 H140 D238 V240 K241 K267
Binding residue
(residue number reindexed from 1)		S107 G108 S109 Y135 H136 D234 V236 K237 K263
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) G19 Y139 D238 K267
Catalytic site (residue number reindexed from 1) G15 Y135 D234 K263
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008453 alanine-glyoxylate transaminase activity
GO:0008483 transaminase activity
GO:0030170 pyridoxal phosphate binding
Biological Process
GO:0009436 glyoxylate catabolic process
GO:0019481 L-alanine catabolic process, by transamination

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Molecular Function
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Biological Process
External links
PDB RCSB:6gio, PDBe:6gio, PDBj:6gio
PDBsum6gio
PubMed29897155
UniProtQ06K28

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