MolNFT v1 · #91861 · protein

Crystal structure of CALU16 from micromonospora echinospora. northeast structural genomics consortium target MIR12.

4FPW: “Crystal structure of CALU16 from micromonospora echinospora. northeast structural genomics consortium target…”. X-ray diffraction, 4 pockets (best druggability 0.80). MolNFT v1 #91861 on GenesisL1: 3D structure, binding sites and…

PDB: 4FPW
Type: protein
Length: 318 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: CALU16
UniProt: Q8KNE9
Pockets: 4 · best druggability 0.80

Structure

x-ray diffraction · 2 distinct chains · 34% helix, 38% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	CALU16	protein	157	34% helix, 38% strand	Q8KNE9
B	CALU16	protein	161	34% helix, 38% strand	Q8KNE9

Pockets

4 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	196	0.80	0.94	26	empty
2	207	0.80	0.93	28	empty
3	321	0.59	0.77	27	empty
4	240	0.52	0.75	28	empty

Interfaces

1 interface between chains.

A–B · 559 Å² buried · 10 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 10 modified (engineered).

Compared structures

4FPW · Crystal Structure of CalU16 from Micromonospora echinospora. Northeast Structural… · 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
Every structure of UniProt Q8KNE9
Elsewhere: RCSB PDB 4FPW · PDBe 4FPW · UniProt Q8KNE9

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