MolNFT v1 · #21568 · protein

FAB MNAC13

1SEQ · Monoclonal antibody MNAC13: “FAB MNAC13”. X-ray diffraction, 1 ligand (SO4), 4 pockets (best druggability 0.63). MolNFT v1 #21568 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1SEQ
Type: protein
Length: 429 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Monoclonal antibody MNAC13
Ligands: SO4
Pockets: 4 · best druggability 0.63

Structure

x-ray diffraction · 2 distinct chains · 7% helix, 51% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
L	Monoclonal antibody MNAC13	protein	208	6% helix, 51% strand	—
H	Monoclonal antibody MNAC13	protein	221	7% helix, 52% strand	—

Ligands and binding sites

SO4 · Sulfate ion · ion · 4 copies · chains L, H
TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains L, H
IPA · Isopropyl alcohol · additive · chains L, H

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	539	0.63	0.75	57	TRS
2	193	0.49	0.76	24	empty
3	124	0.42	0.76	24	empty
4	90	0.40	0.78	16	empty

Interfaces

1 interface between chains.

L–H · 1965 Å² buried · 21 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

1SEQ · Fab MNAC13 · 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 1SEQ · PDBe 1SEQ

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