Structure of PDB 1zkm Chain A Binding Site BS01

Receptor Information
>1zkm Chain A (length=244) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNDRDFMRYSRQILLDDIALDGQQKLLDSQVLIIGLGGLGTPAALYLAGA
GVGTLVLADDDDVHLSNLQRQILFTTEDIDRPKSQVSQQRLTQLNPDIQL
TALQQRLTGEALKDAVARADVVLDCTDNMATRQEINAACVALNTPLITAS
AVGFGGQLMVLTPPWEQGCYRCLWPDNQEPERNCRTAGVVGPVVGVMGTL
QALEAIKLLSGIETPAGELRLFDGKSSQWRSLALRRASGCPVCG
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain1zkm Chain A Residue 252 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1zkm Structural Analysis of Escherichia Coli ThiF.
Resolution2.95 Å
Binding residue
(original residue number in PDB)		C169 C240 C243
Binding residue
(residue number reindexed from 1)		C169 C240 C243
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R11 D127
Catalytic site (residue number reindexed from 1) R11 D127
Enzyme Commision number 2.7.7.73: sulfur carrier protein ThiS adenylyltransferase.
Gene Ontology
Molecular Function
GO:0004792 thiosulfate sulfurtransferase activity
GO:0005524 ATP binding
GO:0008146 sulfotransferase activity
GO:0008270 zinc ion binding
GO:0008641 ubiquitin-like modifier activating enzyme activity
GO:0016779 nucleotidyltransferase activity
GO:0042803 protein homodimerization activity
GO:0046872 metal ion binding
GO:0070733 AMPylase activity
Biological Process
GO:0009228 thiamine biosynthetic process
GO:0009229 thiamine diphosphate biosynthetic process
GO:0052837 thiazole biosynthetic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:1902503 adenylyltransferase complex
GO:1990228 sulfurtransferase complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1zkm, PDBe:1zkm, PDBj:1zkm
PDBsum1zkm
PubMed15896804
UniProtP30138|THIF_ECOLI Sulfur carrier protein ThiS adenylyltransferase (Gene Name=thiF)

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