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Receptor
PDB id Resolution Class Description Source Keywords
1XE7 1.75 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE YML079W PROTEIN FROM SACCHAROMYCES REVEALS A NEW SEQUENCE FAMILY OF THE JELLY ROLL FOLD SACCHAROMYCES CEREVISIAE JELLY ROLL MOTIF CUPIN SUPERFAMILY STRUCTURAL GENOMICS YMS. CEREVISIAE UNKNOWN FUNCTION
Ref.: CRYSTAL STRUCTURE OF THE YML079W PROTEIN FROM SACCH CEREVISIAE REVEALS A NEW SEQUENCE FAMILY OF THE JEL FOLD PROTEIN SCI. V. 14 209 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACY A:307;
Invalid;
none;
submit data
60.052 C2 H4 O2 CC(=O...
EDO A:304;
A:306;
B:301;
B:302;
B:305;
C:303;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
GUN A:210;
B:210;
C:210;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
151.126 C5 H5 N5 O c1[nH...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1XE7 1.75 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE YML079W PROTEIN FROM SACCHAROMYCES REVEALS A NEW SEQUENCE FAMILY OF THE JELLY ROLL FOLD SACCHAROMYCES CEREVISIAE JELLY ROLL MOTIF CUPIN SUPERFAMILY STRUCTURAL GENOMICS YMS. CEREVISIAE UNKNOWN FUNCTION
Ref.: CRYSTAL STRUCTURE OF THE YML079W PROTEIN FROM SACCH CEREVISIAE REVEALS A NEW SEQUENCE FAMILY OF THE JEL FOLD PROTEIN SCI. V. 14 209 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 1XE7 - GUN C5 H5 N5 O c1[nH]c2c(....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 1XE7 - GUN C5 H5 N5 O c1[nH]c2c(....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 1XE7 - GUN C5 H5 N5 O c1[nH]c2c(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GUN; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 GUN 1 1
2 DX4 0.531915 0.729167
3 B55 0.403846 0.877551
4 8IG 0.403846 0.877551
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1XE7; Ligand: GUN; Similar sites found with APoc: 52
This union binding pocket(no: 1) in the query (biounit: 1xe7.bio2) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 1OGX EQU None
2 4GGZ BTN 1.73913
3 1PHK ATP 2.46305
4 2DVX 23A 2.46305
5 2CIR BG6 2.46305
6 4J36 1HR 2.95567
7 4J36 FAD 2.95567
8 1A99 PUT 2.95567
9 3TTM PUT 2.95567
10 1IA9 ANP 2.95567
11 2IXC TRH 2.9703
12 4HN1 TYD 2.98507
13 1NYW DAU 3.04569
14 4H3P ANP 3.44828
15 4UIB GWX 3.44828
16 3HX3 RET 3.44828
17 5DXA SFG 3.44828
18 5DWQ SFG 3.44828
19 5DX8 SFG 3.44828
20 4GKV NAD 3.94089
21 1U0A BGC BGC BGC BGC 4.4335
22 3N0Y APC 4.46927
23 1R37 NAD 4.92611
24 3AXX CBI 4.92611
25 2TPS TPS 5.41872
26 4AQL TXC 5.41872
27 1LNM DTX 5.43478
28 3OV6 MK0 5.91133
29 5I0U DCY 6
30 2C1Q BTN 6.34921
31 4H69 10Y 6.70103
32 2D37 NAD 6.81818
33 1GT4 UNA 6.91824
34 4QM9 CYS 7.51445
35 4BVA T3 7.88177
36 5Y72 DST 7.88177
37 4P10 2B8 7.88177
38 6C1S EFV 8.37438
39 6EZ6 C5Z 8.86699
40 5AXH GLC GLC GLC GLC 8.86699
41 4MVK ACE VAL PHE PHE ALA GLU ASP NH2 9.04255
42 1KJ1 MAN 9.17431
43 4B0T ADP 9.35961
44 1J3R 6PG 10
45 2GC0 PAN 10.1064
46 4RLT FSE 10.1266
47 1H2B NAJ 11.8227
48 2Y6Q I7T 11.8227
49 5OO5 UUA 19.3548
50 5W97 CHD 23.8532
51 1I06 TZL 25
52 1QY1 PRZ 26.4368
Pocket No.: 2; Query (leader) PDB : 1XE7; Ligand: GUN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1xe7.bio2) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1XE7; Ligand: GUN; Similar sites found with APoc: 37
This union binding pocket(no: 3) in the query (biounit: 1xe7.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 1PNO NAP None
2 5U9J GER None
3 3SAO NKN 1.875
4 4HWS 1B3 2.95567
5 5NBP BGC BGC BGC 2.95567
6 6GR0 F8W 3.44828
7 1EC9 XYH 3.44828
8 2RDQ AKG 3.94089
9 3B00 16A 3.94089
10 5NCF 8T5 4.42478
11 2WSA 646 4.4335
12 2WSA MYA 4.4335
13 5EFC GTP 4.5977
14 1ZHX HC3 4.92611
15 5ISY NAD 4.92611
16 4YVN EBS 5.91133
17 2P3C 3TL 6.06061
18 4C1Q SAH 6.28571
19 1TXR BES 6.40394
20 2YNE YNE 6.89655
21 2YNE NHW 6.89655
22 3JVH HHV 7.10383
23 5VYR GMP 7.38916
24 5VYR B62 7.38916
25 5FEU NAP 7.38916
26 1OBD ATP 7.88177
27 1P7T ACO 8.86699
28 3W9K MYR 9.35252
29 3RGA LSB 9.35961
30 5HZ9 5M8 9.62963
31 3SQG TP7 9.85222
32 6H0B UDP 10.3448
33 3VPB ADP 10.7143
34 5DQ8 FLF 11.6667
35 1MJJ HAL 13.3005
36 1C4Q GLA GAL BGC 14.4928
37 1BHX ASP PHE GLU GLU ILE 17.6871
Pocket No.: 4; Query (leader) PDB : 1XE7; Ligand: GUN; Similar sites found with APoc: 29
This union binding pocket(no: 4) in the query (biounit: 1xe7.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 4R38 RBF None
2 4CSD MFU None
3 2BS5 BGC GAL FUC None
4 3ZW2 NAG GAL FUC None
5 3ZW2 GLA NAG GAL FUC None
6 6F7X MFU None
7 3ZW0 FUC None
8 1PZO CBT 1.47783
9 4RFR RHN 2.46305
10 3NW7 LGV 3.44828
11 1UNB AKG 3.44828
12 1UNB PN1 3.44828
13 4CLI 5P8 3.44828
14 1Y0G 8PP 4.18848
15 1G3M A3P 4.4335
16 1G3M PCQ 4.4335
17 5ZM4 9FU 4.4335
18 2R5V HHH 4.4335
19 4Z3X 4KX 5.91133
20 4L40 DCR 5.91133
21 1ZMT RNO 6.40394
22 4IJP 1EH 7.38916
23 5EW9 5VC 7.88177
24 4BPZ GLC BGC BGC 7.88177
25 3KV8 FAH 7.91367
26 3T50 FMN 8.59375
27 1RM6 FAD 8.86699
28 1NGP NPA 8.86699
29 4IO2 GLU 11.8227
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