Structure of PDB 6ppr Chain A Binding Site BS03

Receptor Information
>6ppr Chain A (length=834) Species: 1772 (Mycolicibacterium smegmatis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GVVRLLGPGTGKSSLLVDTAVQHILLTGSARLRTAARAAITARLTVHSYA
FAVLRLSAEQDGIIRELLAGDGWPEQLWPALTTAGFATELRDLMARCTER
GVDPIALQRLGRPEWLAAGRFAQAYEQILGAAELVGAALEALLLDTERNR
IKLLLVDDAQHLDPQAARLVRALALTVIAGDPDQSHPAITLTQSYRCAPE
IASAITGLGQWTGNPQREGTVTVRLAASTHAEGTMIADALRRAHLVDGIP
WSQMAVIVRSVPRVGTALARALTAAGVPVQDDVPVGRQPAAAALLTVLDV
TATGHLDADSAVALLTGPIGRVDPVTLRQLRRALRRADGSQPPRDFGDLL
VDAIEREPKGLSAEHARTLRRLRAVLTAARRDPRYTLWQAWHASGLQRRW
LAASERGGSVGAQADRDLDAVTTLFDVADQYVLRGLVDHVAVAVLSVHGA
LAGEWDFVVIAGVQEGLWPNMIPRGGVLGTQHLVDVLLVAEERRLLMAAM
GRARTRVMITAVDLLPSPFCAEISAWATEPPLVAPRVLAPSALVGRLRAV
VCAPDARACAAAQLARLAAAGVPGADPSQWHAMTSLTTEEPLWSEPGHVV
TLSPSTLQMLTDCPLRWLLERHGGDDGRDVRSTVGSLVHALVSEPGKTES
QLVNELEKVWDDLPYDAKWYSDNELARHRAMLETFTRWREDTRRQLTEVA
TEIPVEGIVVEPGVRVRGRLDRLERDEAGRLVVVALKTGKSPVTKDDAQN
HAQLAMYQLAVAAGLGDEPGGGKLVYLGKAGATEREQDPLTPDKRAEWLE
TVGEAAAATAGPRFVARVNNGCANCPVRSSCPAQ
Ligand information
Ligand IDSF4
InChIInChI=1S/4Fe.4S
InChIKeyLJBDFODJNLIPKO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
CACTVS 3.385S1[Fe]S[Fe]1.S2[Fe]S[Fe]2
FormulaFe4 S4
NameIRON/SULFUR CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain6ppr Chain A Residue 1102 [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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PDB6ppr Structures and single-molecule analysis of bacterial motor nuclease AdnAB illuminate the mechanism of DNA double-strand break resection.
Resolution3.5 Å
Binding residue
(original residue number in PDB)		C807 R810 A1021 R1022 C1027 C1030 V1032 C1036
Binding residue
(residue number reindexed from 1)		C613 R616 A816 R817 C822 C825 V827 C831
Annotation score1
Enzymatic activity
Enzyme Commision number 5.6.2.4: DNA 3'-5' helicase.
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003678 DNA helicase activity
GO:0004386 helicase activity
GO:0004527 exonuclease activity
GO:0005524 ATP binding
GO:0016787 hydrolase activity
GO:0016853 isomerase activity
GO:0043138 3'-5' DNA helicase activity
Biological Process
GO:0000725 recombinational repair
GO:0006281 DNA repair
GO:0032508 DNA duplex unwinding
Cellular Component
GO:0005829 cytosol
GO:0033202 DNA helicase complex

View graph for
Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6ppr, PDBe:6ppr, PDBj:6ppr
PDBsum6ppr
PubMed31740608
UniProtA0QTR9

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