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MolNFT v1 · #177023 · protein

Crystal structure of sfgfp complexed with the nanobody NB2 at 2.2 angstron resolution

7E53 · Green fluorescent protein: “Crystal structure of sfgfp complexed with the nanobody NB2 at 2.2 angstron resolution”. X-ray diffraction, 1 ligand (CRO), 1 pocket (best druggability 0.76). MolNFT v1 #177023 on GenesisL1: 3D structure…

PDB
7E53
Type
protein
Length
352 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Green fluorescent protein; Green fluorescent PROTEIN'S nanobody NB2
UniProt
A0A059PIQ0
Ligands
CRO
Pockets
1 · best druggability 0.76

Structure

x-ray diffraction · 2 distinct chains · 10% helix, 50% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGreen fluorescent proteinprotein22612% helix, 52% strandA0A059PIQ0
BGreen fluorescent PROTEIN'S nanobody NB2protein1265% helix, 46% strand—

Ligands and binding sites

  • CRO · {2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid · ligand · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11070.760.9626CRO

Interfaces

1 interface between chains.

  • A–B · 718 Ų buried · 12 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 cofactor, 1 disulfide (chromophore, disulfide).

Compared structures

  • 7E53 · Crystal structure of sfGFP complexed with the nanobody nb2 at 2.2 Angstron resolution · the same entry in another collection · chain A against A, TM-score 1.00

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