Structure of PDB 7pnd Chain B

Receptor sequence

>7pndB (length=343) Species: 817 (Bacteroides fragilis)

VTASIDLQSVSYTDLATQLNDVSDFGKMIILKDNGFNRQVHVSMDKRTKI
QLDNENVRLFNGRDKDSTNFILGDEFAVLRFYRNGESISYIAYKEAQMMN
EIAEFYAAPFKKTRAINEKEAFECIYDSKYPVSVKINVDKAKKILNLPEC
DYINDYIKTPQEPKTVYVICLRENGSTVYPNEVSAQMQDAANSVYAVHGL
KRYVNLHFVLYTTEYACPSGNADEGLDGFTASLKANPKAEGYDDQIYFLI
RWGTWDNNILGISWLNSYNVNTASDFKASGMSTTQLMYPGVMAHELGHIL
GANHADDPKDLMYSKYTGYLFHLSEKNMDIIAKNLGWEIADGD

3D structure

• PDB: 7pnd Repositioning small molecule drugs as allosteric inhibitors of the BFT-3 toxin from enterotoxigenic Bacteroides fragilis.
• Chain: B
• Resolution: 1.85 Å

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	ZN	B	D194 H348 H352 H358	D155 H294 H298 H304
BS02	PRO	B	S42 S44 D47 D160 S161	S9 S11 D14 D127 S128
BS03	PRO	B	S44 Y45 T46 K127	S11 Y12 T13 K94
BS04	PRO	B	D66 F69 F114 R116 I121 Y123 K174	D33 F36 F81 R83 I88 Y90 K135
BS05	PRO	B	E227 S230 R305 G307	E173 S176 R251 G253
BS06	PRO	B	N320 Y322 N323 T326 N388	N266 Y268 N269 T272 N334

Gene Ontology

Molecular Function

• GO:0008237 metallopeptidase activity
• GO:0008270 zinc ion binding

Biological Process

• GO:0006508 proteolysis

External links

• PDB: RCSB:7pnd, PDBe:7pnd, PDBj:7pnd
• PDBsum: 7pnd
• PubMed: 36173175
• UniProt: O86049