Structure of PDB 6ppj Chain A Binding Site BS01

Receptor Information
>6ppj Chain A (length=901) Species: 1772 (Mycolicibacterium smegmatis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
STLLEPGSNGVVRLLGGPGTGKSSLLVDTAVQHILDPESVLLLTGSARLR
TAARAAITARLGVVREPLVRTVHSYAFAVLRLAAQPPPRLITSAEQDGII
RELLAGDLEDGPVGWPEQLWPALTTAGFATELRDLMARCTERGVDPIALQ
RLGRTAKRPEWLAAGRFAQAYEQIMLLPALGAAELVGAALEALGADDELL
DTERNRIKLLLVDDAQHLDPQAARLVRALAAGTGLTVIAGDPDQSVVLLR
DDTHPAITLTQSYRCAPEIASAITGLGQRLPTRHWTGNPQREGTVTVRLA
ASTHAEGTMIADALRRAHLVDGIPWSQMAVIVRSVPALARALTAAGVPVQ
DVPVGRQPAAAALLTVLDVTATGHLDADSAVALLTGPIGRVDPVTLRQLR
RALRRAPPRDFGDLLVDAIEREPKGLSAEHARTLRRLRAVLTAARRSPRY
TLWQAWHASGLQRRWLAASVGAQADRDLDAVTTLFDVADQYVNRLRGLVD
HVTRLAEAVAVLSVHGALAGEWDFVVIAGVQEGLWPNMIPRGGVLGTQHL
VDVLDGVADMTDRTVSTRAPLVAEERRLLMAAMGRARTRVMITAVDSLLP
SPFCAEISAWATPPLVAPRVLAPSALVGRLRAVVCAPAVDDDARACAAAQ
LARLAAAGVPGADPSQWHAMTSLTTEEPLWSEHVVTLSPSTLQMLTDCPL
RWLLERHGGDDGDVRSTVGSLVHALVSETESQLVNELEKVWDDLPYDAKW
YSDNELARHRAMLETFTRWREDTRRQLTEVATEIPVEGIVVEPPGVRVRG
RLDRLERDLVVVALKTGKSPVTKDDAQNHAQLAMYQLAVAAGLGGKLVYL
GKATEREQDPKRAEWLETVGEAAAATAGPRFVARVNNGCANCPVRSSCPA
Q
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 chain6ppj Chain A Residue 1101 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6ppj 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 R1022 C1027 C1030 V1032 C1036
Binding residue
(residue number reindexed from 1)		C698 R701 R884 C889 C892 V894 C898
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
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6ppj, PDBe:6ppj, PDBj:6ppj
PDBsum6ppj
PubMed31740608
UniProtA0QTR9

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