MolNFT v1 · #84675 · protein

The structure of the dimeric hamp-dhp fusion A291V mutant

3ZRW · AF1503 protein, osmolarity sensor protein envz: “The structure of the dimeric hamp-dhp fusion A291V mutant”. X-ray diffraction, 3 pockets (best druggability 0.63). MolNFT v1 #84675 on GenesisL1: 3D structure, binding sites and…

PDB: 3ZRW
Type: protein
Length: 442 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: AF1503 protein, osmolarity sensor protein envz
EC: 2.7.13.3
UniProt: O28769, P0AEJ4
Pockets: 3 · best druggability 0.63

Structure

x-ray diffraction · 3 distinct chains · 79% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, C	AF1503 protein, osmolarity sensor protein envz (EC 2.7.13.3)	protein	111	80% helix, 0% strand	O28769, P0AEJ4
B	AF1503 protein, osmolarity sensor protein envz (EC 2.7.13.3)	protein	110	79% helix, 0% strand	O28769, P0AEJ4
D	AF1503 protein, osmolarity sensor protein envz (EC 2.7.13.3)	protein	110	79% helix, 0% strand	O28769, P0AEJ4

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	469	0.63	0.76	51	empty
2	162	0.49	0.77	25	empty
3	50	0.30	0.76	13	empty

Interfaces

4 interfaces between chains.

C–D · 2371 Å² buried · 20 hydrogen bonds · protein-protein
A–B · 2230 Å² buried · 26 hydrogen bonds · protein-protein
B–D · 190 Å² buried · 5 hydrogen bonds · protein-protein
B–C · 126 Å² buried · 3 hydrogen bonds · protein-protein

Compared structures

3ZRW · The structure of the dimeric Hamp-Dhp fusion A291V mutant · the same entry in another collection · chain D against D, TM-score 1.00
P0AEJ4 · AlphaFold monomer V2.0 prediction for sensor histidine kinase envz (P0AEJ4) · a predicted model of the same protein · chain B against A, TM-score 0.82

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 O28769
Every structure of UniProt P0AEJ4
Elsewhere: RCSB PDB 3ZRW · PDBe 3ZRW · UniProt O28769 · UniProt P0AEJ4

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