MolNFT v1 · #79373 · protein

Crystal structure of the full-length aphb N100E variant

3T1B · Transcriptional regulator, lysr family: “Crystal structure of the full-length aphb N100E variant”. X-ray diffraction, 12 pockets (best druggability 0.79). MolNFT v1 #79373 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 3T1B
Type: protein
Length: 1,158 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Transcriptional regulator, lysr family
UniProt: Q9KT56
Pockets: 12 · best druggability 0.79

Structure

x-ray diffraction · 4 distinct chains · 42% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Transcriptional regulator, lysr family	protein	290	43% helix, 23% strand	Q9KT56
B	Transcriptional regulator, lysr family	protein	289	42% helix, 23% strand	Q9KT56
C	Transcriptional regulator, lysr family	protein	290	42% helix, 24% strand	Q9KT56
D	Transcriptional regulator, lysr family	protein	289	44% helix, 24% strand	Q9KT56

Pockets

12 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	923	0.79	0.81	67	empty
2	1037	0.77	0.79	76	empty
3	785	0.75	0.80	79	empty
4	819	0.75	0.79	83	empty
5	867	0.74	0.79	51	empty

Interfaces

4 interfaces between chains.

A–B · 2010 Å² buried · 34 hydrogen bonds · protein-protein
C–D · 1934 Å² buried · 23 hydrogen bonds · protein-protein
A–C · 1758 Å² buried · 22 hydrogen bonds · protein-protein
B–D · 1711 Å² buried · 15 hydrogen bonds · protein-protein

Compared structures

3T1B · Crystal structure of the full-length AphB N100E variant · 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 Q9KT56
Elsewhere: RCSB PDB 3T1B · PDBe 3T1B · UniProt Q9KT56

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