MolNFT v1 · #109267 · protein

Fleq rec domain from pseudomonas aeruginosa PAO1

4WXM · Transcriptional regulator fleq: “Fleq rec domain from pseudomonas aeruginosa PAO1”. X-ray diffraction, 5 pockets (best druggability 0.81). MolNFT v1 #109267 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4WXM
Type: protein
Length: 636 residues
Chains: 5
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Transcriptional regulator fleq
UniProt: G3XCV0
Pockets: 5 · best druggability 0.81

Structure

x-ray diffraction · 2 distinct chains · 42% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, C, E	Transcriptional regulator fleq	protein	126	44% helix, 19% strand	G3XCV0
B, D	Transcriptional regulator fleq	protein	129	41% helix, 19% strand	G3XCV0

Pockets

5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	746	0.81	0.85	83	empty
2	167	0.59	0.83	20	empty
3	54	0.39	0.82	10	empty
4	71	0.30	0.74	10	empty
5	51	0.29	0.75	14	empty

Interfaces

9 interfaces between chains.

B–C · 730 Å² buried · 5 hydrogen bonds · protein-protein
A–D · 652 Å² buried · 6 hydrogen bonds · protein-protein
A–B · 599 Å² buried · 4 hydrogen bonds · protein-protein
C–D · 543 Å² buried · 1 hydrogen bond · protein-protein
D–E · 263 Å² buried · 3 hydrogen bonds · protein-protein

Compared structures

4WXM · FleQ REC domain from Pseudomonas aeruginosa PAO1 · the same entry in another collection · chain E against E, TM-score 1.00
G3XCV0 · AlphaFold monomer V2.0 prediction for transcriptional regulator fleq (G3XCV0) · a predicted model of the same protein · chain E against A, TM-score 0.98

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt G3XCV0
Elsewhere: RCSB PDB 4WXM · PDBe 4WXM · UniProt G3XCV0

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