MolNFT v1 · #180590 · protein

Crystal structure of the oxyr regulatory domain of shewanella oneidensis mr-1, reduced form

7L4S · Transcriptional regulator of oxidative stress oxyr: “Crystal structure of the oxyr regulatory domain of shewanella oneidensis mr-1, reduced form”. X-ray diffraction, 19 pockets (best druggability 0.81). MolNFT v1 #180590 on…

PDB: 7L4S
Type: protein
Length: 1,208 residues
Chains: 6
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Transcriptional regulator of oxidative stress oxyr
UniProt: Q8EHA1
Pockets: 19 · best druggability 0.81

Structure

x-ray diffraction · 6 distinct chains · 32% helix, 28% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Transcriptional regulator of oxidative stress oxyr	protein	207	31% helix, 29% strand	Q8EHA1
B	Transcriptional regulator of oxidative stress oxyr	protein	199	33% helix, 29% strand	Q8EHA1
C	Transcriptional regulator of oxidative stress oxyr	protein	203	32% helix, 31% strand	Q8EHA1
D	Transcriptional regulator of oxidative stress oxyr	protein	197	33% helix, 27% strand	Q8EHA1
E	Transcriptional regulator of oxidative stress oxyr	protein	198	31% helix, 28% strand	Q8EHA1
F	Transcriptional regulator of oxidative stress oxyr	protein	204	34% helix, 27% strand	Q8EHA1

Pockets

19 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1133	0.81	0.82	103	empty
2	134	0.75	0.94	31	empty
3	130	0.74	0.94	31	empty
4	211	0.71	0.88	25	empty
5	795	0.69	0.76	61	empty

Interfaces

10 interfaces between chains.

B–D · 1394 Å² buried · 22 hydrogen bonds · protein-protein
A–C · 1356 Å² buried · 18 hydrogen bonds · protein-protein
E–F · 583 Å² buried · 1 hydrogen bond · protein-protein
A–B · 561 Å² buried · 4 hydrogen bonds · protein-protein
C–E · 518 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

7L4S · Crystal structure of the OxyR regulatory domain of Shewanella oneidensis MR-1, reduced… · 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 Q8EHA1
Elsewhere: RCSB PDB 7L4S · PDBe 7L4S · UniProt Q8EHA1

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