Structure of PDB 8vpi Chain B

Receptor sequence

>8vpiB (length=551) Species: 1496 (Clostridioides difficile) [Search protein sequence]

SGIYYTPKIIVDYIVKKTLKNHDIIKNPYPRILDISCGCGNFLLEVYDIL
YDLFEENIYELKKKYDENYWTVDNIHRHILNYCIYGADIDEKAISILKDS
LTNKKVVNDLDESDIKINLFCCDSLKKKWRYKFDYIVGNPPYIGHKKLEK
KYKKFLLEKYSEVYKDKADLYFCFYKKIIDILKQGGIGSVITPRYFLESL
SGKDLREYIKSNVNVQEIVDFLGANIFKNIGVSSCILTFDKKKTKETYID
VFKIKNEDICINKFETLEELLKSSKFEHFNINQRLLSDEWILVNKDDETF
YNKIQEKCKYSLEDIAISFQGIITGCDKAFILSKDDVKLNLVDDKFLKCW
IKSKNINKYIVDKSEYRLIYSNDIDNENTNKRILDEIIGLYKTKLENRRE
CKSGIRKWYELQWGREKLFFERKKIMYPYKSNENRFAIDYDNNFSSADVY
SFFIKEEYLDKFSYEYLVGILNSSVYDKYFKITAKKMSKNIYDYYPNKVM
KIRIFRDNNYEEIENLSKQIISILLNKSIDKGKVEKLQIKMDNLIMDSLG
I

3D structure

PDB

8vpi Quinoline-based compounds can inhibit diverse enzymes that act on DNA

Chain

Resolution

2.89 Å

3D
structure

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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	dna	B	Y30 N165 P166 Y168 H171 K173 K193 Y221 S227 I256 G257 S344 F345 Q346 R432 W439 R441 K456 Y476 K511 M513 S514 Y521 P522 N523	Y4 N139 P140 Y142 H145 K147 K167 Y195 S201 I230 G231 S318 F319 Q320 R406 W413 R415 K430 Y450 K485 M487 S488 Y495 P496 N497
BS02	dna	B	H171 K172 K176 K179 D192 K193 I349 G351 D353 K378 K380 R425 Q438 W439 Y455 K456	H145 K146 K150 K153 D166 K167 I323 G325 D327 K352 K354 R399 Q412 W413 Y429 K430

External links

PDB	RCSB:8vpi, PDBe:8vpi, PDBj:8vpi
PDBsum	8vpi
PubMed
UniProt	A0A031WG99

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