Structure of PDB 2zr8 Chain A Binding Site BS01

Receptor Information
>2zr8 Chain A (length=319) Species: 4896 (Schizosaccharomyces pombe) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LVLPTYDDVASASERIKKFANKTPVLTSSTVNKEFVAEVFFKCENFQKMG
AFKFRGALNALSQLNEAQRKAGVLTFSSGNHAQAIALSAKILGIPAKIIM
PLDAPEAKVAATKGYGGQVIMYDRYKDDREKMAKEISEREGLTIIPPYDH
PHVLAGQGTAAKELFEEVGPLDALFVCLGGGGLLSGSALAARHFAPNCEV
YGVEPEAGNDGQQSFRKGSIVHIDTPKTIADGAQTQHLGNYTFSIIKEKV
DDILTVSDEELIDCLKFYAARMKIVVEPTGCLSFAAARAMKEKLKNKRIG
IIISGGNVDIERYAHFLSQ
Ligand information
Ligand IDPDD
InChIInChI=1S/C11H17N2O7P/c1-6-10(14)9(4-13-7(2)11(15)16)8(3-12-6)5-20-21(17,18)19/h3,7,13-14H,4-5H2,1-2H3,(H,15,16)(H2,17,18,19)/t7-/m1/s1
InChIKeyWACJCHFWJNNBPR-SSDOTTSWSA-N
SMILES
SoftwareSMILES
CACTVS 3.341C[CH](NCc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O)=O
CACTVS 3.341C[C@@H](NCc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O)=O
ACDLabs 10.04O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)C
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)CNC(C)C(=O)O)O
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@H](C)C(=O)O)O
FormulaC11 H17 N2 O7 P
NameN-(5'-PHOSPHOPYRIDOXYL)-D-ALANINE
ChEMBL
DrugBankDB01993
ZINCZINC000002047235
PDB chain2zr8 Chain A Residue 350 [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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PDB2zr8 Crystal structure of a homolog of mammalian serine racemase from Schizosaccharomyces pombe
Resolution2.2 Å
Binding residue
(original residue number in PDB)		F56 K57 S81 S82 N84 H85 P151 G183 G184 G185 G186 G236 E281 T283 S308
Binding residue
(residue number reindexed from 1)		F52 K53 S77 S78 N80 H81 P147 G179 G180 G181 G182 G232 E277 T279 S304
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K57 S82 E208 G212 D214 G236 I307 S308
Catalytic site (residue number reindexed from 1) K53 S78 E204 G208 D210 G232 I303 S304
Enzyme Commision number 4.3.1.17: L-serine ammonia-lyase.
4.3.1.18: D-serine ammonia-lyase.
5.1.1.18: serine racemase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003824 catalytic activity
GO:0003941 L-serine ammonia-lyase activity
GO:0005524 ATP binding
GO:0008721 D-serine ammonia-lyase activity
GO:0016829 lyase activity
GO:0016853 isomerase activity
GO:0018114 threonine racemase activity
GO:0030170 pyridoxal phosphate binding
GO:0030378 serine racemase activity
GO:0042803 protein homodimerization activity
GO:0046872 metal ion binding
Biological Process
GO:0006563 L-serine metabolic process
GO:0070178 D-serine metabolic process
Cellular Component
GO:0005575 cellular_component

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2zr8, PDBe:2zr8, PDBj:2zr8
PDBsum2zr8
PubMed19640845
UniProtO59791|SRR_SCHPO Serine racemase (Gene Name=sry1)

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