MolNFT v1 · #155102 · protein

Crystal structure of sn-101 mab non-liganded form

6KX0 · Fab fragment-sn-101-heavy chain: “Crystal structure of sn-101 mab non-liganded form”. X-ray diffraction, 5 pockets (best druggability 0.58). MolNFT v1 #155102 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6KX0
Type: protein
Length: 429 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Fab fragment-sn-101-heavy chain; Fab fragment-sn-101-light chain
Pockets: 5 · best druggability 0.58

Structure

x-ray diffraction · 2 distinct chains · 7% helix, 52% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Fab fragment-sn-101-heavy chain	protein	210	9% helix, 54% strand	—
B	Fab fragment-sn-101-light chain	protein	219	5% helix, 51% strand	—

Ligands and binding sites

TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · 2 copies · chains A, B

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

Pockets

5 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	470	0.58	0.74	54	TRS
2	73	0.32	0.74	22	empty
3	78	0.32	0.74	18	empty
4	53	0.28	0.74	21	empty
5	55	0.26	0.73	14	empty

Interfaces

1 interface between chains.

A–B · 1754 Å² buried · 15 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

6KX0 · Crystal structure of SN-101 mAb non-liganded form · 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 6KX0 · PDBe 6KX0

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