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Structure of cca oligonucleotide bound to the tRNA binding sites of the large ribosomal subunit of haloarcula marismortui

Analyse Structure of cca oligonucleotide bound to the tRNA binding sites of the large… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 1QVG
Type: protein + RNA
Length: 6,586 residues
Chains: 33
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 23S ribosomal RNA; 5S ribosomal RNA; Oligonucleotide cca; 50S ribosomal protein L2P; 50S…
UniProt: P20276, P20279, P12735, P14124, P14135, P12743, P15825, P29198, P22450, P12737, P14123, P12733, P14119, P12734, P10970, P12732, P10972, P14116, P10971, P14121, P18138, P12736, P32410, P22452, P32411
Ligands: MG, NA, CD, K, CL
Pockets: 20 · best druggability 0.90

Structure

x-ray diffraction · 31 distinct chains · 29% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
0	23S ribosomal RNA	rna	2754	—	—
9	5S ribosomal RNA	rna	122	—	—
3, 4, 5	Oligonucleotide cca	rna	3	—	—
A	50S ribosomal protein L2P	protein	237	12% helix, 25% strand	P20276
B	50S ribosomal protein L3P	protein	337	14% helix, 31% strand	P20279
C	50S ribosomal protein L4E	protein	246	34% helix, 12% strand	P12735
D	50S ribosomal protein L5P	protein	140	26% helix, 19% strand	P14124
E	50S ribosomal protein L6P	protein	172	22% helix, 42% strand	P14135
F	50S ribosomal protein L7AE	protein	119	49% helix, 13% strand	P12743
G	50S ribosomal protein L10E	protein	29	79% helix, 0% strand	P15825
H	L10 ribosomal protein	protein	156	15% helix, 28% strand	—
I	50S ribosomal protein L13P	protein	142	41% helix, 15% strand	P29198
J	50S ribosomal protein L14P	protein	132	3% helix, 38% strand	P22450
K	50S ribosomal protein L15P	protein	145	19% helix, 16% strand	P12737
L	L15 ribosomal protein	protein	194	32% helix, 12% strand	—
M	50S ribosomal protein L18P	protein	186	38% helix, 13% strand	P14123
N	50S ribosomal protein L18E	protein	115	45% helix, 23% strand	P12733
O	50S ribosomal protein L19E	protein	143	59% helix, 4% strand	P14119
P	50S ribosomal protein L21E	protein	95	14% helix, 32% strand	P12734
Q	50S ribosomal protein L22P	protein	150	35% helix, 31% strand	P10970
R	50S ribosomal protein L23P	protein	81	35% helix, 31% strand	P12732
S	50S ribosomal protein L24P	protein	119	30% helix, 29% strand	P10972
T	50S ribosomal protein L24E	protein	53	21% helix, 19% strand	P14116
U	50S ribosomal protein L29P	protein	65	74% helix, 0% strand	P10971
V	50S ribosomal protein L30P	protein	154	38% helix, 14% strand	P14121
W	50S ribosomal protein L31E	protein	82	37% helix, 28% strand	P18138
X	50S ribosomal protein L32E	protein	142	23% helix, 12% strand	P12736
Y	L37AE 50S ribosomal protein	protein	73	37% helix, 18% strand	—
Z	50S ribosomal protein L37E	protein	56	11% helix, 16% strand	P32410
1	50S ribosomal protein L39E	protein	46	39% helix, 0% strand	P22452
2	50S ribosomal protein L44E	protein	92	14% helix, 33% strand	P32411

Ligands and binding sites

MG · Magnesium ion · metal · 116 copies · chains 0, A, C, B, Z, R, Q, V, 9, T, 1, X, 2, O, L, Y, J, S
NA · Sodium ion · metal · 86 copies · chains 0, K, B, 1, H, S, 9, I, C, L, 2, D, A, P, Q, R
CD · Cadmium ion · metal · 5 copies · chains N, T, Y, Z, 2
K · Potassium ion · metal · 2 copies · chains 0, L
CL · Chloride ion · ion · 22 copies · chains 0, 1, P, K, I, X, V, A, B, E, J, L, D, M, N, Q, 2

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

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	1099	0.90	0.92	103	MG, NA
2	950	0.88	0.91	115	MG, CL
3	878	0.88	0.91	112	empty
4	1026	0.88	0.90	100	MG, NA
5	1145	0.87	0.89	94	NA

Interfaces

57 interfaces between chains.

0–B · 7346 Å² buried · 225 hydrogen bonds · protein-nucleic
0–L · 6897 Å² buried · 182 hydrogen bonds · protein-nucleic
0–A · 6252 Å² buried · 179 hydrogen bonds · protein-nucleic
0–C · 5614 Å² buried · 130 hydrogen bonds · protein-nucleic
0–O · 4366 Å² buried · 127 hydrogen bonds · protein-nucleic

Compared structures

1QVG · Structure of CCA oligonucleotide bound to the tRNA binding sites of the large ribosomal… · the same entry in another collection · chain F against F, 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 P20276
Every structure of UniProt P20279
Every structure of UniProt P12735
Every structure of UniProt P14124
Every structure of UniProt P14135
Every structure of UniProt P12743
Every structure of UniProt P15825
Every structure of UniProt P29198
Every structure of UniProt P22450
Every structure of UniProt P12737
Every structure of UniProt P14123
Every structure of UniProt P12733
Every structure of UniProt P14119
Every structure of UniProt P12734
Every structure of UniProt P10970
Every structure of UniProt P12732
Every structure of UniProt P10972
Every structure of UniProt P14116
Every structure of UniProt P10971
Every structure of UniProt P14121
Every structure of UniProt P18138
Every structure of UniProt P12736
Every structure of UniProt P32410
Every structure of UniProt P22452
Every structure of UniProt P32411
Elsewhere: RCSB PDB 1QVG · PDBe 1QVG · UniProt P20276 · UniProt P20279 · UniProt P12735 · UniProt P14124 · UniProt P14135 · UniProt P12743 · UniProt P15825 · UniProt P29198 · UniProt P22450 · UniProt P12737 · UniProt P14123 · UniProt P12733 · UniProt P14119 · UniProt P12734 · UniProt P10970 · UniProt P12732 · UniProt P10972 · UniProt P14116 · UniProt P10971 · UniProt P14121 · UniProt P18138 · UniProt P12736 · UniProt P32410 · UniProt P22452 · UniProt P32411

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