MolNFT v1 · #181969 · protein

Crystal structure of an ai-designed tim-barrel F15C

7MCD: “Crystal structure of an ai-designed tim-barrel F15C”. X-ray diffraction, 7 pockets (best druggability 0.78). MolNFT v1 #181969 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7MCD
Type: protein
Length: 730 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Ai-designed tim-barrel F15C
Pockets: 7 · best druggability 0.78

Structure

x-ray diffraction · 3 distinct chains · 50% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, D	Ai-designed tim-barrel F15C	protein	183	52% helix, 21% strand	—
B	Ai-designed tim-barrel F15C	protein	181	49% helix, 23% strand	—
C	Ai-designed tim-barrel F15C	protein	183	49% helix, 22% strand	—

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	475	0.78	0.86	53	empty
2	882	0.72	0.77	72	empty
3	366	0.62	0.78	44	empty
4	352	0.62	0.78	41	empty
5	108	0.47	0.80	20	empty

Interfaces

4 interfaces between chains.

B–D · 638 Å² buried · 6 hydrogen bonds · protein-protein
A–C · 630 Å² buried · 9 hydrogen bonds · protein-protein
A–B · 260 Å² buried · 2 hydrogen bonds · protein-protein
A–D · 175 Å² buried · 4 hydrogen bonds · protein-protein

Compared structures

7MCD · Crystal structure of an AI-designed TIM-barrel F15C · the same entry in another collection · chain D against D, 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 7MCD · PDBe 7MCD

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