MolNFT v1 · #123020 · protein

Fluorogen activating protein AM2.2 in complex with ML342

5J75 · Scfv AM2.2: “Fluorogen activating protein AM2.2 in complex with ML342”. X-ray diffraction, 2 ligands (6GQ, PO4), 8 pockets (best druggability 0.84). MolNFT v1 #123020 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5J75
Type: protein
Length: 466 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Scfv AM2.2
Ligands: 6GQ, PO4
Pockets: 8 · best druggability 0.84

Structure

x-ray diffraction · 1 distinct chain · 4% helix, 52% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Scfv AM2.2	protein	233	4% helix, 52% strand	—

Ligands and binding sites

6GQ · N,4-dimethyl-N-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}benzene-1-sulfonamide · ligand · 2 copies · chains A, B
PO4 · Phosphate ion · ion · 4 copies · chains A, B

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

Pockets

8 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	656	0.84	0.88	79	6GQ, PO4
2	72	0.70	0.95	20	empty
3	116	0.44	0.78	21	empty
4	156	0.41	0.73	31	empty
5	137	0.39	0.74	35	PO4

Interfaces

1 interface between chains.

A–B · 815 Å² buried · 6 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

5J75 · Fluorogen Activating Protein AM2.2 in complex with ML342 · the same entry in another collection · chain A against A, 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
Elsewhere: RCSB PDB 5J75 · PDBe 5J75

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