Structure of PDB 4uqv Chain A Binding Site BS01

Receptor Information
>4uqv Chain A (length=426) Species: 2190 (Methanocaldococcus jannaschii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MEYSDVPKFIRDVSIKQHEWMRESIKLIASENITSLAVREACATDFMHRY
AEGLPLYQGCKYIDEVETLCIELSKELFKAEHANVQPTSGVVANLAVFFA
ETKPGDKLMALSVPDGGHISHWKVSAAGIRGLKVINHPFDPEEMNIDADA
MVKKILEEKPKLILFGGSLFPFPHPVADAYEAAQEVGAKIAYDGAHVLGL
IAGKQFQDPLREGAEYLMGSTHKTFFGPQGGVILTTKENADKIDSHVFPG
VVSNHHLHHKAGLAIALAEMLEFGEAYAKQVIKNAKALAQALYERGFNVL
CEHKDFTESHQVIIDIESSPDIEFSASELAKMYEEANIILNKNLLPWDDV
NNSDNPSGIRLGTQECTRLGMKEKEMEEIAEFMKRIAIDKEKPEKVREDV
KEFAKEYSTIHYSFDEGDGFKYLRFY
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 chain4uqv Chain A Residue 1430 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4uqv The Crystal Structure of Archaeal Serine Hydroxymethyltransferase Reveals Idiosyncratic Features Likely Required to Withstand High Temperatures.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		S92 G93 V94 H124 D196 A198 S223 H225 K226
Binding residue
(residue number reindexed from 1)		S89 G90 V91 H121 D193 A195 S220 H222 K223
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y50 E52 D196 S223 K226 Q232
Catalytic site (residue number reindexed from 1) Y50 E52 D193 S220 K223 Q229
Enzyme Commision number 2.1.2.-
4.1.2.49: L-allo-threonine aldolase.
Gene Ontology
Molecular Function
GO:0004372 glycine hydroxymethyltransferase activity
GO:0008732 L-allo-threonine aldolase activity
GO:0016740 transferase activity
GO:0016829 lyase activity
GO:0030170 pyridoxal phosphate binding
Biological Process
GO:0006545 glycine biosynthetic process
GO:0006730 one-carbon metabolic process
GO:0008652 amino acid biosynthetic process
GO:0019264 glycine biosynthetic process from serine
GO:0035999 tetrahydrofolate interconversion
GO:0046653 tetrahydrofolate metabolic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4uqv, PDBe:4uqv, PDBj:4uqv
PDBsum4uqv
PubMed25257552
UniProtQ58992|GLYA_METJA Serine hydroxymethyltransferase (Gene Name=glyA)

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