Structure of PDB 1qmh Chain B Binding Site BS01

Receptor Information
>1qmh Chain B (length=335) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MIALDGAQGEGGGQILRSALSLSMITGQPFTITSIRAGRAKPGLLRQHLT
AVKAATEICGATVEGAELGSQRLLFRPGTVRGGDYRFAIGSAGSCTLVLQ
TVLPALWFADGPSRVEVSGGTDNPSAPPADFIRRVLEPLLAKIGIHQQTT
LLRHGFYPAGGGVVATEVSPVASFNTLQLGERGNIVQMRGEVLLAGVPRH
VAEREIATLAGSFSLHEQNIHNLPRDQGPGNTVSLEVESENITERFFVVG
EKRVSAEVVAAQLVKEVKRYLASTAAVGEYLADQLVLPMALAGAGEFTVA
HPSCHLLTNIAVVERFLPVRFSLIETDGVTRVSIE
Ligand information
Ligand IDDTO
InChIInChI=1S/C4H10O3S2/c5-3(1-8)4(6)2-9-7/h3-8H,1-2H2/t3-,4-/m1/s1
InChIKeyMFLGZMZEMVZQCC-QWWZWVQMSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OSC[C@@H](O)[C@H](O)CS
ACDLabs 10.04SCC(O)C(O)CSO
OpenEye OEToolkits 1.5.0C(C(C(CSO)O)O)S
CACTVS 3.341OSC[CH](O)[CH](O)CS
OpenEye OEToolkits 1.5.0C([C@H]([C@@H](CSO)O)O)S
FormulaC4 H10 O3 S2
Name1-HYDROXYSULFANYL-4-MERCAPTO-BUTANE-2,3-DIOL
ChEMBL
DrugBank
ZINCZINC000006360530
PDB chain1qmh Chain B Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1qmh Crystal Structure of RNA 3'-Terminal Phosphate Cyclase, a Ubiquitous Enzyme with Unusual Topology
Resolution2.1 Å
Binding residue
(original residue number in PDB)		N235 G254 E255 K256
Binding residue
(residue number reindexed from 1)		N231 G250 E251 K252
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E14 H309
Catalytic site (residue number reindexed from 1) E10 H305
Enzyme Commision number 6.5.1.4: RNA 3'-terminal-phosphate cyclase (ATP).
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0003963 RNA-3'-phosphate cyclase activity
GO:0005524 ATP binding
GO:0016874 ligase activity
Biological Process
GO:0006396 RNA processing
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:1qmh, PDBe:1qmh, PDBj:1qmh
PDBsum1qmh
PubMed10673421
UniProtP46849|RTCA_ECOLI RNA 3'-terminal phosphate cyclase (Gene Name=rtcA)

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