MolNFT v1 · #11465 · protein

Crystal structure of Fab-estradiol complexes

1JNL · Monoclonal anti-estradiol 17E12E5 immunoglobulin kappa chain: “Crystal structure of Fab-estradiol complexes”. X-ray diffraction, 5 pockets (best druggability 0.54). MolNFT v1 #11465 on GenesisL1: 3D structure, binding sites and…

PDB: 1JNL
Type: protein
Length: 427 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Monoclonal anti-estradiol 17E12E5 immunoglobulin kappa chain; Monoclonal anti-estradiol…
Pockets: 5 · best druggability 0.54

Structure

x-ray diffraction · 2 distinct chains · 4% helix, 49% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
L	Monoclonal anti-estradiol 17E12E5 immunoglobulin kappa chain	protein	211	5% helix, 48% strand	—
H	Monoclonal anti-estradiol 17E12E5 immunoglobulin gamma-1 chain	protein	216	4% helix, 51% strand	—

Pockets

5 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	340	0.54	0.74	45	empty
2	161	0.50	0.78	23	empty
3	79	0.49	0.83	19	empty
4	134	0.46	0.77	20	empty
5	118	0.35	0.72	17	empty

Interfaces

1 interface between chains.

L–H · 1584 Å² buried · 11 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

1JNL · Crystal Structure of Fab-Estradiol Complexes · the same entry in another collection · chain L against L, 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 1JNL · PDBe 1JNL

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