Receptor
PDB id Resolution Class Description Source Keywords
3GXW 1.9 Å NON-ENZYME: TRANSCRIPT_TRANSLATE STRUCTURE OF THE SH2 DOMAIN OF THE CANDIDA GLABRATA TRANSCRIPTION ELONGATION FACTOR SPT6, CRYSTAL FORM A CANDIDA GLABRATA SH2-FOLD THREE STRANDED ANTI-PARALLEL BETA SHEET N- TERMINAL ALPHA HELIX C-TERMINAL ALPHA HELIX NUCLEUS SH2 DOMAIN TRANSCRIPTION TRANSCRIPTION REGULATION
Ref.: STRUCTURE AND IN VIVO REQUIREMENT OF THE YEAST SPT6 SH2 DOMAIN J.MOL.BIOL. V. 389 211 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NA A:104;
B:104;
C:104;
D:104;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
22.99 Na [Na+]
SIN A:1003;
C:1004;
Valid;
Valid;
none;
none;
submit data
116.072 C4 H6 O4 O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3GXW 1.9 Å NON-ENZYME: TRANSCRIPT_TRANSLATE STRUCTURE OF THE SH2 DOMAIN OF THE CANDIDA GLABRATA TRANSCRIPTION ELONGATION FACTOR SPT6, CRYSTAL FORM A CANDIDA GLABRATA SH2-FOLD THREE STRANDED ANTI-PARALLEL BETA SHEET N- TERMINAL ALPHA HELIX C-TERMINAL ALPHA HELIX NUCLEUS SH2 DOMAIN TRANSCRIPTION TRANSCRIPTION REGULATION
Ref.: STRUCTURE AND IN VIVO REQUIREMENT OF THE YEAST SPT6 SH2 DOMAIN J.MOL.BIOL. V. 389 211 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 257 families.
1 3GXW - SIN C4 H6 O4 O=C([O-])C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 222 families.
1 3GXW - SIN C4 H6 O4 O=C([O-])C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 185 families.
1 3GXW - SIN C4 H6 O4 O=C([O-])C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SIN; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 SIN 1 1
2 MLI 0.5 0.785714
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3GXW; Ligand: SIN; Similar sites found: 20
This union binding pocket(no: 1) in the query (biounit: 3gxw.bio3) has 6 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3QXV MTX 0.0004986 0.48402 None
2 2P0D I3P 0.0003857 0.44401 None
3 4EIL NDP 0.00731 0.40746 4.85437
4 4KM2 TOP 0.0144 0.40629 4.85437
5 4KM2 ATR 0.01381 0.40629 4.85437
6 3AKI AH8 0.01683 0.40896 6.79612
7 3DAA PDD 0.01251 0.40465 6.79612
8 1N4K I3P 0.001715 0.47376 7.76699
9 3ZM6 2GN 0.006199 0.44787 8.73786
10 4OPC FDA 0.02578 0.44201 9.70874
11 4OPC PGT 0.02803 0.44201 9.70874
12 3EFS BTN 0.002205 0.47164 13.5922
13 3KJS DQ1 0.009324 0.42281 15.534
14 3KJS NAP 0.006202 0.42281 15.534
15 1LCK GLU GLY GLN PTR GLN PRO GLN PRO ALA 0.00005829 0.46664 19.4175
16 1N7G GDR 0.03026 0.45694 21.3592
17 4OR7 NAP 0.00687 0.40862 22.3301
18 1R1Q ACE ARG GLU PTR VAL ASN VAL 0.0003946 0.47146 25
19 5GJH SER ASP PTR MET ASN MET THR PRO 0.0003902 0.45387 37
20 1O44 852 0.000358 0.4615 41.7476
Pocket No.: 2; Query (leader) PDB : 3GXW; Ligand: SIN; Similar sites found: 7
This union binding pocket(no: 2) in the query (biounit: 3gxw.bio1) has 6 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1T0I FMN 0.03634 0.41093 None
2 1YQD NAP 0.04706 0.40378 1.94175
3 3NRR D16 0.03697 0.41598 13.5922
4 2C5A GDC 0.04964 0.40893 19.4175
5 2C5A NAD 0.04964 0.40893 19.4175
6 1EK6 NAI 0.03172 0.44224 22.3301
7 5AN1 GSH 0.004394 0.41137 25.2427
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