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Crystal structure of rhodospirillum rubrum RRU_A0973 mutant H65A

Analyse Crystal structure of rhodospirillum rubrum RRU_A0973 mutant H65A in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 5L8G
Type: protein
Length: 2,700 residues
Chains: 30
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Uncharacterized protein
UniProt: Q2RVS1
Ligands: CA
Pockets: 20 · best druggability 0.80

Structure

x-ray diffraction · 6 distinct chains · 75% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D, F, G, H, I, J, K, L, N, P, T, U, a	Uncharacterized protein	protein	91	73% helix, 0% strand	Q2RVS1
E, O, Q, R, W, d	Uncharacterized protein	protein	90	73% helix, 0% strand	Q2RVS1
M, S, V, X, Y	Uncharacterized protein	protein	89	74% helix, 0% strand	Q2RVS1
Z	Uncharacterized protein	protein	87	76% helix, 0% strand	Q2RVS1
b	Uncharacterized protein	protein	88	75% helix, 0% strand	Q2RVS1
c	Uncharacterized protein	protein	84	79% helix, 0% strand	Q2RVS1

Ligands and binding sites

CA · Calcium ion · metal · 74 copies · chains A, J, B, C, D, E, F, H, G, I, K, T, L, M, N, O, P, R, Q, S, U, d, V, W, X, Y, Z, b, a, c

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

20 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1015	0.80	0.81	92	empty
2	1197	0.74	0.78	78	empty
3	55	0.68	0.96	19	CA
4	730	0.67	0.75	62	CA
5	55	0.66	0.95	20	empty

Interfaces

78 interfaces between chains.

K–L · 2604 Å² buried · 42 hydrogen bonds · protein-protein
E–F · 2596 Å² buried · 39 hydrogen bonds · protein-protein
M–N · 2589 Å² buried · 46 hydrogen bonds · protein-protein
C–D · 2575 Å² buried · 42 hydrogen bonds · protein-protein
G–H · 2571 Å² buried · 37 hydrogen bonds · protein-protein

Compared structures

5L8G · Crystal structure of Rhodospirillum rubrum Rru_A0973 mutant H65A · the same entry in another collection · chain B against B, 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 Q2RVS1
Elsewhere: RCSB PDB 5L8G · PDBe 5L8G · UniProt Q2RVS1

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