MolNFT v1 · #104694 · protein

Co-crystal structure of anti-anti-sigma factor phyr complexed with anti-sigma factor nepr from bartonella quintana

4QIC · Sensory transduction regulatory protein, anti-anti-sigma…: “Co-crystal structure of anti-anti-sigma factor phyr complexed with anti-sigma factor nepr from bartonella…”. X-ray diffraction, 3 pockets (best druggability 0.78). MolNFT…

PDB: 4QIC
Type: protein
Length: 588 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Sensory transduction regulatory protein, anti-anti-sigma factor phyr; Anti-sigma factor…
UniProt: Q6G0Z8, Q6G0Y8
Pockets: 3 · best druggability 0.78

Structure

x-ray diffraction · 4 distinct chains · 63% helix, 10% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Sensory transduction regulatory protein, anti-anti-sigma factor phyr	protein	243	62% helix, 12% strand	Q6G0Z8
B	Anti-sigma factor nepr	protein	51	76% helix, 0% strand	Q6G0Y8
C	Sensory transduction regulatory protein, anti-anti-sigma factor phyr	protein	240	59% helix, 13% strand	Q6G0Z8
D	Anti-sigma factor nepr	protein	54	72% helix, 0% strand	Q6G0Y8

Ligands and binding sites

MPD · (4S)-2-methyl-2,4-pentanediol · additive · 2 copies · chains A, B, C, D
EDO · 1,2-ethanediol · additive · chains C

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	104	0.78	0.97	23	MPD
2	297	0.65	0.82	42	MPD
3	521	0.60	0.74	63	empty

Interfaces

6 interfaces between chains.

A–C · 2370 Å² buried · 22 hydrogen bonds · protein-protein
C–D · 1531 Å² buried · 14 hydrogen bonds · protein-protein
A–B · 1483 Å² buried · 9 hydrogen bonds · protein-protein
A–D · 693 Å² buried · 5 hydrogen bonds · protein-protein
B–C · 668 Å² buried · 1 hydrogen bond · protein-protein

Compared structures

4QIC · Co-Crystal Structure of Anti-anti-sigma factor PhyR complexed with Anti-sigma factor NepR… · the same entry in another collection · chain A against A, TM-score 1.00

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 Q6G0Z8
Every structure of UniProt Q6G0Y8
Elsewhere: RCSB PDB 4QIC · PDBe 4QIC · UniProt Q6G0Z8 · UniProt Q6G0Y8

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