MolNFT v1 · #172710 · protein

Crystal structure of the escherichia COLI toxin-antitoxin system hipbst (hipt S57A)

7AB3 · Predicted transcriptional regulator, xre family: “Crystal structure of the escherichia COLI toxin-antitoxin system hipbst (hipt S57A)”. X-ray diffraction, 14 pockets (best druggability 0.84). MolNFT v1 #172710 on GenesisL1: 3D…

PDB: 7AB3
Type: protein
Length: 1,015 residues
Chains: 6
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Predicted transcriptional regulator, xre family; COUPLE_HIPA domain-containing protein…
UniProt: B7UL98, B7UL97, B7UL96
Pockets: 14 · best druggability 0.84

Structure

x-ray diffraction · 6 distinct chains · 38% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Predicted transcriptional regulator, xre family	protein	70	60% helix, 11% strand	B7UL98
B	COUPLE_HIPA domain-containing protein	protein	100	21% helix, 31% strand	B7UL97
C	HIPA_C domain-containing protein	protein	338	38% helix, 12% strand	B7UL96
D	Predicted transcriptional regulator, xre family	protein	69	61% helix, 12% strand	B7UL98
E	COUPLE_HIPA domain-containing protein	protein	101	22% helix, 29% strand	B7UL97
F	HIPA_C domain-containing protein	protein	337	38% helix, 12% strand	B7UL96

Pockets

14 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	676	0.84	0.88	68	empty
2	747	0.84	0.87	68	empty
3	310	0.54	0.75	44	empty
4	114	0.53	0.82	22	empty
5	112	0.41	0.76	21	empty

Interfaces

7 interfaces between chains.

A–D · 1452 Å² buried · 22 hydrogen bonds · protein-protein
B–C · 1361 Å² buried · 21 hydrogen bonds · protein-protein
E–F · 1245 Å² buried · 18 hydrogen bonds · protein-protein
D–F · 530 Å² buried · 5 hydrogen bonds · protein-protein
A–C · 525 Å² buried · 6 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 modified (phosphorylation).

Compared structures

7AB3 · Crystal structure of the Escherichia coli toxin-antitoxin system HipBST (HipT S57A) · 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 B7UL98
Every structure of UniProt B7UL97
Every structure of UniProt B7UL96
Elsewhere: RCSB PDB 7AB3 · PDBe 7AB3 · UniProt B7UL98 · UniProt B7UL97 · UniProt B7UL96

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