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MolNFT v1 · #102816 · protein + RNA

Crystal structure of the aminoglycoside resistance methyltransferase npma bound to the 30S ribosomal subunit

4OX9 · 16S rRNA: “Crystal structure of the aminoglycoside resistance methyltransferase npma bound to the 30S ribosomal subunit”. X-ray diffraction, 3 ligands (SFG, MG, ZN), 20 pockets (best druggability 0.89). MolNFT v1 #102816 on…

PDB
4OX9
Type
protein + RNA
Length
4,122 residues
Chains
22
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
16S rRNA; 30S ribosomal protein S2; 30S ribosomal protein S3; 30S ribosomal protein S4…
EC
2.1.1.180
UniProt
P80371, P80372, P80373, Q5SHQ5, Q5SLP8, P17291, Q5SHQ2, P80374, Q5SHN7, P80376, Q5SHN3, P80377, Q5SHQ1, Q5SJ76, Q5SJH3, Q5SHP7, Q5SLQ0, Q5SHP2, P80380, Q5SIH3, A8C927
Ligands
SFG, MG, ZN
Pockets
20 · best druggability 0.89

Structure

x-ray diffraction · 22 distinct chains · 35% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A16S rRNArna1507——
B30S ribosomal protein S2protein23447% helix, 11% strandP80371
C30S ribosomal protein S3protein20634% helix, 17% strandP80372
D30S ribosomal protein S4protein20840% helix, 6% strandP80373
E30S ribosomal protein S5protein15029% helix, 37% strandQ5SHQ5
F30S ribosomal protein S6protein10131% helix, 45% strandQ5SLP8
G30S ribosomal protein S7protein15555% helix, 6% strandP17291
H30S ribosomal protein S8protein13826% helix, 30% strandQ5SHQ2
I30S ribosomal protein S9protein12730% helix, 16% strandP80374
J30S ribosomal protein S10protein9813% helix, 26% strandQ5SHN7
K30S ribosomal protein S11protein11925% helix, 27% strandP80376
L30S ribosomal protein S12protein1245% helix, 23% strandQ5SHN3
M30S ribosomal protein S13protein12546% helix, 2% strandP80377
N30S ribosomal protein S14 type Zprotein6037% helix, 7% strandQ5SHQ1
O30S ribosomal protein S15protein8873% helix, 0% strandQ5SJ76
P30S ribosomal protein S16protein8320% helix, 20% strandQ5SJH3
Q30S ribosomal protein S17protein10413% helix, 42% strandQ5SHP7
R30S ribosomal protein S18protein7337% helix, 8% strandQ5SLQ0
S30S ribosomal protein S19protein8023% helix, 14% strandQ5SHP2
T30S ribosomal protein S20protein9968% helix, 0% strandP80380
V30S ribosomal protein thxprotein2425% helix, 0% strandQ5SIH3
Y16S rRNA (ADENINE(1408)-N(1))-methyltransferase (EC 2.1.1.180)protein21940% helix, 28% strandA8C927

Ligands and binding sites

  • SFG · Sinefungin · ligand · chains A, Y
  • MG · Magnesium ion · metal · 120 copies · chains A, Y, D, T, C, V, B, E, N
  • ZN · Zinc ion · metal · 2 copies · chains D, N

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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110850.890.9292MG
210240.850.87105MG
311380.850.8788MG
47290.840.8966MG
58180.840.8779MG

Interfaces

44 interfaces between chains.

  • A–L · 3098 Ų buried · 78 hydrogen bonds · protein-nucleic
  • A–I · 2991 Ų buried · 102 hydrogen bonds · protein-nucleic
  • A–D · 2938 Ų buried · 91 hydrogen bonds · protein-nucleic
  • A–Q · 2733 Ų buried · 72 hydrogen bonds · protein-nucleic
  • A–T · 2611 Ų buried · 61 hydrogen bonds · protein-nucleic

Compared structures

  • 4OX9 · Crystal structure of the aminoglycoside resistance methyltransferase NpmA bound to the… · the same entry in another collection · chain C against C, TM-score 1.00

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