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Structure of PDB 1t3i Chain B Binding Site BS02

Receptor Information
>1t3i Chain B (length=405) Species: 1143 (Synechocystis sp.) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PSLAATVRQDFPILNQEINGHPLVYLDNAATSQKPRAVLEKLMHYYENDN
ANVAHQLSVRATDAYEAVRNKVAKFINARSPREIVYTRNATEAINLVAYS
WGMNNLKAGDEIITTVMEHHSNLVPWQMVAAKTGAVLKFVQLDEQESFDL
EHFKTLLSEKTKLVTVVHISNTLGCVNPAEEIAQLAHQAGAKVLVDACQS
APHYPLDVQLIDCDWLVASGHKMCAPTGIGFLYGKEEILEAMPPFFGGGE
MIAEVFFDHFTTGELPHKFEAGTPAIAEAIALGAAVDYLTDLGMENIHNY
EVELTHYLWQGLGQIPQLRLYGPNPKHGDRAALASFNVAGLHASDVATMV
DQDGIAIRSGHHCTQPLHRLFDASGSARASLYFYNTKEEIDLFLQSLQAT
IRFFS
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 chain1t3i Chain B Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1t3i Kinetic and structural characterization of Slr0077/SufS, the essential cysteine desulfurase from Synechocystis sp. PCC 6803.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		N98 T100 H128 N180 D205 C207 Q208 S228 H230 K231
Binding residue
(residue number reindexed from 1)		N89 T91 H119 N171 D196 C198 Q199 S219 H221 K222
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H128 D205 C207 Q208 K231 R367 C372
Catalytic site (residue number reindexed from 1) H119 D196 C198 Q199 K222 R358 C363
Enzyme Commision number 2.8.1.7: cysteine desulfurase.
Gene Ontology
Molecular Function
GO:0016740 transferase activity
GO:0030170 pyridoxal phosphate binding
GO:0031071 cysteine desulfurase activity
Biological Process
GO:0006534 cysteine metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:1t3i, PDBe:1t3i, PDBj:1t3i
PDBsum1t3i
PubMed15379559
UniProtQ55793|CSD_SYNY3 Probable cysteine desulfurase (Gene Name=csd)

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