Structure of PDB 6ppu Chain A Binding Site BS03

Receptor Information

>6ppu Chain A (length=601) Species: 1772 (Mycolicibacterium smegmatis)

AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGTVTVRLAASTH
AEGTMIADALRRAHLVDGIPWSQMAVIVRSVLTAAGVPVQPVGRQPAAAA
LLTVLDVTATGHLDADSAVALLTPIGRVDPVTLRQLRRALRRADGSQPPR
DFGDLLVDAIEREPKAEHARTLRRLRAVLTAARRSDPRYTLWQAWHASRR
WLAASERGGSVGAQADRDLDAVTTLFDVADQYVLRGLVDHVTRAEAVAVL
SVHWDFVVIAGVQEGLWPNQHLVDVVAEERRLLRVMITAVDSAAAAAAAA
AAAAAPPLVAPRVLAPSALVGRLRAVVCAPRACAAAQLARLAAAGVPGAD
PSQWHAMTSLTTEEPLWSEPHVVTLSPSTLQMLTDCPLRWLLERHGGDDG
RDVRSTVGSLVHALVSEPGKTESQLVNELEKVWDDLPYDAKWYSDNELAR
HRAMLETFTRWREDTRLTEVATEIPVEGIVVEPGVRVRGRLDRLERDEAG
RLVVVDLKTGKSPVTKDDAQNHAQLAMYQLAVAAGLEPGGGKLVYLGKAT
EREQDPLTPDKRAEWLETVGEAAAATAGPRFVARVNNGCANCPVRSSCPA
Q

Ligand information

• Ligand ID: SF4
• InChI: InChI=1S/4Fe.4S
• InChIKey: LJBDFODJNLIPKO-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 2.0.7: [S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
  CACTVS 3.385: S1[Fe]S[Fe]1.S2[Fe]S[Fe]2
• Formula: Fe4 S4
• Name: IRON/SULFUR CLUSTER
• PDB chain: 6ppu Chain A Residue 1102

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6ppu Structures and single-molecule analysis of bacterial motor nuclease AdnAB illuminate the mechanism of DNA double-strand break resection.
• Resolution: 3.5 Å
• Binding residue (original residue number in PDB): C807 R810 A1021 R1022 C1027 C1030 V1032 C1036
• Binding residue (residue number reindexed from 1): C386 R389 A583 R584 C589 C592 V594 C598
• Annotation score: 1

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:0005524 ATP binding
• GO:0016787 hydrolase activity

External links

• PDB: RCSB:6ppu, PDBe:6ppu, PDBj:6ppu
• PDBsum: 6ppu
• PubMed: 31740608
• UniProt: A0QTR9