MolNFT v1 · #101471 · protein

Crystal structure of CBARA1 in the apo-form

4NSC · Calcium uptake protein 1, mitochondrial: “Crystal structure of CBARA1 in the apo-form”. X-ray diffraction, 20 pockets (best druggability 0.77). MolNFT v1 #101471 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4NSC
Type: protein
Length: 1,922 residues
Chains: 6
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Calcium uptake protein 1, mitochondrial
UniProt: Q9BPX6
Pockets: 20 · best druggability 0.77

Structure

x-ray diffraction · 6 distinct chains · 55% helix, 7% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Calcium uptake protein 1, mitochondrial	protein	310	56% helix, 5% strand	Q9BPX6
B	Calcium uptake protein 1, mitochondrial	protein	316	58% helix, 5% strand	Q9BPX6
C	Calcium uptake protein 1, mitochondrial	protein	330	54% helix, 6% strand	Q9BPX6
D	Calcium uptake protein 1, mitochondrial	protein	326	52% helix, 8% strand	Q9BPX6
E	Calcium uptake protein 1, mitochondrial	protein	330	56% helix, 8% strand	Q9BPX6
F	Calcium uptake protein 1, mitochondrial	protein	310	55% helix, 7% strand	Q9BPX6

Pockets

20 pockets found on a 1 Å grid, 15 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	865	0.77	0.80	78	empty
2	871	0.75	0.79	71	empty
3	777	0.71	0.77	73	empty
4	697	0.69	0.77	60	empty
5	519	0.67	0.78	61	empty

Interfaces

13 interfaces between chains.

A–B · 1551 Å² buried · 9 hydrogen bonds · protein-protein
C–E · 1203 Å² buried · 4 hydrogen bonds · protein-protein
D–F · 1068 Å² buried · 4 hydrogen bonds · protein-protein
B–E · 672 Å² buried · 4 hydrogen bonds · protein-protein
C–D · 584 Å² buried · 3 hydrogen bonds · protein-protein

Compared structures

4NSC · Crystal Structure of CBARA1 in the Apo-form · the same entry in another collection · chain F against F, TM-score 1.00
Q9BPX6 · AlphaFold monomer V2.0 prediction for calcium uptake protein 1, mitochondrial (Q9BPX6) · a predicted model of the same protein · chain F against A, TM-score 0.95

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 Q9BPX6
Elsewhere: RCSB PDB 4NSC · PDBe 4NSC · UniProt Q9BPX6

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