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MolNFT v1 · #190807 · protein

Structure of catalytic domain of RV1625C bound to nanobody NB4

7YZ9 · Adenylate cyclase: “Structure of catalytic domain of RV1625C bound to nanobody NB4”. X-ray diffraction, 2 ligands (ONM, MN), 1 pocket (best druggability 0.40). MolNFT v1 #190807 on GenesisL1: 3D structure, binding sites and pockets…

PDB
7YZ9
Type
protein
Length
296 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Adenylate cyclase; Nanobody NB4
EC
4.6.1.1
UniProt
P9WQ35
Ligands
ONM, MN
Pockets
1 · best druggability 0.40

Structure

x-ray diffraction · 2 distinct chains · 26% helix, 40% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAdenylate cyclase (EC 4.6.1.1)protein17936% helix, 35% strandP9WQ35
BNanobody NB4protein11710% helix, 47% strand—

Ligands and binding sites

  • ONM · 3'-O-(N-methylanthraniloyl)-guanosine-5'-triphosphate · ligand · chains A
  • MN · Manganese (II) ion · metal · 3 copies · chains A
  • GOL · Glycerol · additive · 2 copies · chains A, B

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11020.400.7622empty

Interfaces

1 interface between chains.

  • A–B · 745 Ų buried · 8 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 7YZ9 · Structure of catalytic domain of Rv1625c bound to nanobody NB4 · the same entry in another collection · chain A against A, TM-score 1.00
  • P9WQ35 · AlphaFold monomer V2.0 prediction for adenylate cyclase (P9WQ35) · a predicted model of the same protein · chain A against A, TM-score 0.94

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