MolNFT v1 · #174820 · protein

Crystal structure of SHANK3 spn domain in complex with GTP-bound RAP1B(E30D,K31E)

7C7I: “Crystal structure of SHANK3 spn domain in complex with GTP-bound RAP1B(E30D,K31E)”. X-ray diffraction, 3 ligands (GTP, MG, CA). MolNFT v1 #174820 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7C7I
Type: protein
Length: 509 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt: P61224, Q9BYB0
Ligands: GTP, MG, CA

Structure

x-ray diffraction · 3 distinct chains.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	—	protein	166	—	P61224
C	—	protein	88	—	Q9BYB0
D	—	protein	89	—	Q9BYB0

Ligands and binding sites

GTP · Guanosine-5'-triphosphate · ligand · 2 copies · chains A, B
MG · Magnesium ion · metal · 2 copies · chains A, B
CA · Calcium ion · metal · chains A, B

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

Compared structures

7C7I · Crystal structure of SHANK3 SPN domain in complex with GTP-bound Rap1b(E30D,K31E) · the same entry in another collection · chain A against A, TM-score 1.00
P61224 · AlphaFold monomer V2.0 prediction for RAS-related protein rap-1B (P61224) · a predicted model of the same protein · chain A against A, TM-score 0.99
Q9BYB0 · AlphaFold monomer V2.0 prediction for SH3 and multiple ankyrin repeat domains protein 3… · a predicted model of the same protein · chain D 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 P61224
Every structure of UniProt Q9BYB0
Elsewhere: RCSB PDB 7C7I · PDBe 7C7I · UniProt P61224 · UniProt Q9BYB0

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