MolNFT v1 · #5172 · protein

Bacterial conjugative coupling protein TRWBDELTAN70. unbound monoclinic form.

1E9S · Conjugal transfer protein trwb: “Bacterial conjugative coupling protein TRWBDELTAN70. unbound monoclinic form.”. X-ray diffraction, 20 pockets (best druggability 0.88). MolNFT v1 #5172 on GenesisL1: 3D structure, binding sites and…

PDB: 1E9S
Type: protein
Length: 5,090 residues
Chains: 12
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Conjugal transfer protein trwb
UniProt: Q04230
Pockets: 20 · best druggability 0.88

Structure

x-ray diffraction · 12 distinct chains · 42% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Conjugal transfer protein trwb	protein	427	42% helix, 19% strand	Q04230
B	Conjugal transfer protein trwb	protein	422	42% helix, 19% strand	Q04230
D	Conjugal transfer protein trwb	protein	417	43% helix, 17% strand	Q04230
E	Conjugal transfer protein trwb	protein	425	43% helix, 18% strand	Q04230
F	Conjugal transfer protein trwb	protein	427	41% helix, 19% strand	Q04230
G	Conjugal transfer protein trwb	protein	427	42% helix, 19% strand	Q04230
H	Conjugal transfer protein trwb	protein	424	42% helix, 18% strand	Q04230
I	Conjugal transfer protein trwb	protein	424	43% helix, 19% strand	Q04230
J	Conjugal transfer protein trwb	protein	424	42% helix, 18% strand	Q04230
K	Conjugal transfer protein trwb	protein	422	43% helix, 18% strand	Q04230
L	Conjugal transfer protein trwb	protein	426	42% helix, 18% strand	Q04230
M	Conjugal transfer protein trwb	protein	425	42% helix, 19% strand	Q04230

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	923	0.88	0.90	115	empty
2	931	0.88	0.90	122	empty
3	890	0.88	0.90	119	empty
4	900	0.88	0.90	115	empty
5	868	0.88	0.90	117	empty

Interfaces

15 interfaces between chains.

L–M · 2726 Å² buried · 30 hydrogen bonds · protein-protein
A–B · 2618 Å² buried · 33 hydrogen bonds · protein-protein
J–K · 2601 Å² buried · 34 hydrogen bonds · protein-protein
A–G · 2599 Å² buried · 33 hydrogen bonds · protein-protein
K–L · 2592 Å² buried · 34 hydrogen bonds · protein-protein

Compared structures

1E9S · Bacterial conjugative coupling protein TrwBdeltaN70. Unbound monoclinic form. · 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 Q04230
Elsewhere: RCSB PDB 1E9S · PDBe 1E9S · UniProt Q04230

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