MolNFT v1 · #169917 · protein

Crystal structure of MALIM03 Fab in complex with PFMSP1-19

6XQW · MALIM03 Fab heavy chain: “Crystal structure of MALIM03 Fab in complex with PFMSP1-19”. X-ray diffraction, 4 pockets (best druggability 0.58). MolNFT v1 #169917 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6XQW
Type: protein
Length: 507 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: MALIM03 Fab heavy chain; MALIM03 Fab light chain; PFMSP1-19
UniProt: E5FKY3
Pockets: 4 · best druggability 0.58

Structure

x-ray diffraction · 3 distinct chains · 4% helix, 46% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
H	MALIM03 Fab heavy chain	protein	219	3% helix, 51% strand	—
L	MALIM03 Fab light chain	protein	212	6% helix, 48% strand	—
E	PFMSP1-19	protein	76	0% helix, 26% strand	E5FKY3

Pockets

4 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	449	0.58	0.74	51	empty
2	230	0.54	0.77	44	empty
3	111	0.38	0.75	33	empty
4	80	0.36	0.76	22	empty

Interfaces

3 interfaces between chains.

H–L · 1685 Å² buried · 15 hydrogen bonds · protein-protein
L–E · 315 Å² buried · 4 hydrogen bonds · protein-protein
H–E · 246 Å² buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 10 disulfide (disulfide).

Compared structures

6XQW · Crystal Structure of MaliM03 Fab in complex with Pfmsp1-19 · the same entry in another collection · chain H against H, 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
Every structure of UniProt E5FKY3
Elsewhere: RCSB PDB 6XQW · PDBe 6XQW · UniProt E5FKY3

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