Structure of PDB 6mre Chain A Binding Site BS01

Receptor Information
>6mre Chain A (length=405) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IFSVDKVRADFPVLSREVNGLPLAYLDSAASAQKPSQVIDAEAEFYRHGY
AAVHRGIHTLSAQATEKMENVRKRASLFINARSAEELVFVAGTTEGINLV
ANSWGNSNVRAGDNIIISQMEHHANIVPWQMLCARVGAELRVIPLNPDGT
LQLETLPTLFDEKTRLLAITHVSNVLGTENPLAEMITLAHQHGAKVLVDG
AQAVMHHPVDVQALDCDFYVFSGHKLYGPTGIGILYVKEALLQEMPPWEG
GGSMIATVSLSEGTTWTKAPWRFEAGTPNTGGIIGLGAALEYVSALGLNN
IAEYEQNLMHYALSQLESVPDLTLYGPQNRLGVIAFNLGKHHAYDVGSFL
DNYGIAVRTGHHCAMPLMAYYNVPAMCRASLAMYNTHEEVDRLVTGLQRI
HRLLG
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 chain6mre Chain A Residue 500 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6mre Structural Evidence for Dimer-Interface-Driven Regulation of the Type II Cysteine Desulfurase, SufS.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		T94 T95 H123 D200 A202 Q203 S223 H225 K226
Binding residue
(residue number reindexed from 1)		T93 T94 H122 D199 A201 Q202 S222 H224 K225
Annotation score1
Enzymatic activity
Enzyme Commision number 2.8.1.7: cysteine desulfurase.
3.13.1.-
4.4.1.16: selenocysteine lyase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0005515 protein binding
GO:0008826 cysteine sulfinate desulfinase activity
GO:0009000 selenocysteine lyase activity
GO:0016740 transferase activity
GO:0016787 hydrolase activity
GO:0016829 lyase activity
GO:0030170 pyridoxal phosphate binding
GO:0031071 cysteine desulfurase activity
GO:0042803 protein homodimerization activity
Biological Process
GO:0001887 selenium compound metabolic process
GO:0006534 cysteine metabolic process
GO:0006790 sulfur compound metabolic process
GO:0016226 iron-sulfur cluster assembly
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:6mre, PDBe:6mre, PDBj:6mre
PDBsum6mre
PubMed30571100
UniProtP77444|SUFS_ECOLI Cysteine desulfurase (Gene Name=sufS)

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