MolNFT v1 · #110415 · protein

Crystal structure of proteus mirabilis scsc in a compact conformation

4XVW · Dsba-like protein: “Crystal structure of proteus mirabilis scsc in a compact conformation”. X-ray diffraction, 20 pockets (best druggability 0.79). MolNFT v1 #110415 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4XVW
Type: protein
Length: 5,227 residues
Chains: 24
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Dsba-like protein
UniProt: C2LPE2
Pockets: 20 · best druggability 0.79

Structure

x-ray diffraction · 10 distinct chains · 53% helix, 10% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, C, D, F, H, P, U, X, Y	Dsba-like protein	protein	222	56% helix, 10% strand	C2LPE2
B, K, M, O	Dsba-like protein	protein	220	58% helix, 10% strand	C2LPE2
E	Dsba-like protein	protein	215	51% helix, 10% strand	C2LPE2
G	Dsba-like protein	protein	219	53% helix, 10% strand	C2LPE2
I	Dsba-like protein	protein	198	51% helix, 11% strand	C2LPE2
J	Dsba-like protein	protein	219	53% helix, 10% strand	C2LPE2
L	Dsba-like protein	protein	176	51% helix, 10% strand	C2LPE2
N	Dsba-like protein	protein	220	55% helix, 10% strand	C2LPE2
Q, T, V, W	Dsba-like protein	protein	221	48% helix, 10% strand	C2LPE2
R	Dsba-like protein	protein	218	56% helix, 11% strand	C2LPE2

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	1096	0.79	0.80	119	empty
2	979	0.78	0.80	122	empty
3	690	0.77	0.82	58	empty
4	699	0.76	0.81	77	empty
5	1118	0.74	0.77	125	empty

Interfaces

59 interfaces between chains.

C–K · 1548 Å² buried · 24 hydrogen bonds · protein-protein
G–H · 1521 Å² buried · 17 hydrogen bonds · protein-protein
A–B · 1488 Å² buried · 13 hydrogen bonds · protein-protein
U–V · 1474 Å² buried · 13 hydrogen bonds · protein-protein
B–F · 1472 Å² buried · 15 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 96 modified, 1 disulfide (engineered, disulfide).

Compared structures

4XVW · Crystal structure of Proteus mirabilis ScsC in a compact conformation · 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 C2LPE2
Elsewhere: RCSB PDB 4XVW · PDBe 4XVW · UniProt C2LPE2

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