MolNFT v1 · #100028 · protein

X-ray structure of come D58E rec domain from streptococcus pneumoniae

4MLD · Response regulator: “X-ray structure of come D58E rec domain from streptococcus pneumoniae”. X-ray diffraction, 3 pockets (best druggability 0.83). MolNFT v1 #100028 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4MLD
Type: protein
Length: 530 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Response regulator
UniProt: Q8DMW5
Pockets: 3 · best druggability 0.83

Structure

x-ray diffraction · 2 distinct chains · 47% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, D	Response regulator	protein	133	47% helix, 20% strand	Q8DMW5
B, C	Response regulator	protein	132	47% helix, 20% strand	Q8DMW5

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	999	0.83	0.84	81	empty
2	245	0.66	0.83	35	empty
3	243	0.64	0.82	32	empty

Interfaces

6 interfaces between chains.

B–C · 818 Å² buried · 6 hydrogen bonds · protein-protein
A–D · 795 Å² buried · 5 hydrogen bonds · protein-protein
B–D · 241 Å² buried · 0 hydrogen bonds · protein-protein
C–D · 222 Å² buried · 4 hydrogen bonds · protein-protein
A–C · 219 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

4MLD · X-ray structure of ComE D58E REC domain from Streptococcus pneumoniae · 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 Q8DMW5
Elsewhere: RCSB PDB 4MLD · PDBe 4MLD · UniProt Q8DMW5

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