Receptor
PDB id Resolution Class Description Source Keywords
2X34 1.9 Å NON-ENZYME: BINDING STRUCTURE OF A POLYISOPRENOID BINDING DOMAIN FROM SACCHAROPHAGUS DEGRADANS IMPLICATED IN PLANT CELL WALL B REAKDOWN SACCHAROPHAGUS DEGRADANS CARBOHYDRATE-BINDING PROTEIN OXIDOREDUCTION MARINE BACTERIPOLYISOPRENOID TRANSPORT
Ref.: STRUCTURE OF A POLYISOPRENOID BINDING DOMAIN FROM SACCHAROPHAGUS DEGRADANS IMPLICATED IN PLANT CELL W BREAKDOWN FEBS LETT. V. 584 1577 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
UQ8 A:7575;
B:7576;
Valid;
Valid;
none;
none;
submit data
727.109 C49 H74 O4 CC1=C...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2X34 1.9 Å NON-ENZYME: BINDING STRUCTURE OF A POLYISOPRENOID BINDING DOMAIN FROM SACCHAROPHAGUS DEGRADANS IMPLICATED IN PLANT CELL WALL B REAKDOWN SACCHAROPHAGUS DEGRADANS CARBOHYDRATE-BINDING PROTEIN OXIDOREDUCTION MARINE BACTERIPOLYISOPRENOID TRANSPORT
Ref.: STRUCTURE OF A POLYISOPRENOID BINDING DOMAIN FROM SACCHAROPHAGUS DEGRADANS IMPLICATED IN PLANT CELL W BREAKDOWN FEBS LETT. V. 584 1577 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 2X34 - UQ8 C49 H74 O4 CC1=C(C(=O....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 355 families.
1 2X34 - UQ8 C49 H74 O4 CC1=C(C(=O....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 272 families.
1 2X34 - UQ8 C49 H74 O4 CC1=C(C(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: UQ8; Similar ligands found: 11
No: Ligand ECFP6 Tc MDL keys Tc
1 UQ7 1 1
2 UQ 1 1
3 U10 1 1
4 UQ8 1 1
5 UQ9 1 1
6 UQ5 1 0.970588
7 UQ2 0.92 0.941176
8 UQ1 0.603774 0.794118
9 MQ7 0.552239 0.710526
10 MQ9 0.552239 0.710526
11 UQ6 0.449275 0.780488
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2X34; Ligand: UQ8; Similar sites found: 58
This union binding pocket(no: 1) in the query (biounit: 2x34.bio2) has 46 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5IXG OTP 0.000000497 0.50739 None
2 3QRC SCR 0.01085 0.44643 None
3 1N9L FMN 0.00715 0.43115 None
4 2PR5 FMN 0.007803 0.42935 None
5 3T50 FMN 0.00835 0.42795 None
6 2Z77 NCA 0.0309 0.4243 None
7 3QUG GIX 0.03381 0.41815 None
8 2V0U FMN 0.01756 0.41254 None
9 5EFW FMN 0.01983 0.41001 None
10 5FPX GLY SER SER HIS HIS HIS HIS HIS 0.02698 0.40359 None
11 2Z77 HE7 0.02436 0.40293 None
12 5N2D 8J8 0.03095 0.40073 None
13 1DZK PRZ 0.04157 0.4001 None
14 4MVK ACE VAL PHE PHE ALA GLU ASP NH2 0.01375 0.40374 1.65746
15 1MFD GLA MMA ABE 0.04436 0.40164 1.65746
16 4H69 10Y 0.04473 0.40146 1.65746
17 3VMG 9CA 0.02601 0.41694 1.73913
18 4XMF HSM 0.0009859 0.51988 2.20994
19 1OI6 TMP 0.04649 0.40918 2.20994
20 4MZU TYD 0.03362 0.42306 2.76243
21 1UNB AKG 0.005195 0.41414 2.76243
22 5F2T PLM 0.0264 0.40999 2.76243
23 1UNB PN1 0.005133 0.40947 2.76243
24 3A6T 8OG 0.01927 0.41683 3.10078
25 1LFO OLA 0.02097 0.40885 3.125
26 2CM4 RCL 0.005921 0.4285 3.33333
27 1IIU RTL 0.01762 0.40675 3.44828
28 4RW3 IPD 0.03125 0.42003 3.8674
29 3N29 GOL 0.03974 0.41007 3.8674
30 2HZQ STR 0.04359 0.41791 4.02299
31 4L6H HCS 0.04767 0.41462 4.41989
32 5NBW 8SK 0.03529 0.41 4.41989
33 2E27 AB0 0.006109 0.44958 4.7619
34 5C3R HMU 0.0173 0.41593 4.97238
35 5C3R AKG 0.0173 0.41593 4.97238
36 3PDT ADP 0.04438 0.40163 4.97238
37 4FFG LBS 0.01459 0.41365 5.52486
38 4H6B 10Y 0.02161 0.42484 5.64103
39 4H6B 10X 0.03231 0.41202 5.64103
40 3PNA CMP 0.04086 0.41363 5.84416
41 5MOB A8S 0.01496 0.43334 6.07735
42 3SLS 77D 0.007998 0.43223 6.62983
43 3H7J PPY 0.03427 0.4074 6.62983
44 2WKQ FMN 0.01568 0.41489 7.18232
45 2Z5Y HRM 0.01415 0.4388 7.73481
46 1H8S AIC 0.01146 0.44377 8.33333
47 4NVP 7CH 0.0168 0.42321 8.61244
48 3P7N FMN 0.02037 0.40945 8.83978
49 3ZJX BOG 0.007603 0.46441 9.39227
50 2WA4 069 0.006799 0.44718 9.94475
51 3RGA LSB 0.01397 0.42377 9.94475
52 2PFC PLM 0.02125 0.42151 9.94475
53 3CF6 SP1 0.02487 0.41129 9.94475
54 4H2X G5A 0.02971 0.40158 10.6796
55 2HKA C3S 0.00483 0.43926 12.3077
56 5IXH OTP 0.00000003635 0.53509 13.6646
57 3KYF 5GP 5GP 0.007376 0.4496 13.8528
58 4IAW LIZ 0.001359 0.48838 20.2128
Pocket No.: 2; Query (leader) PDB : 2X34; Ligand: UQ8; Similar sites found: 11
This union binding pocket(no: 2) in the query (biounit: 2x34.bio1) has 45 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5DJU FMN 0.02652 0.40038 None
2 5HVJ ANP 0.04023 0.41697 2.20994
3 5AIG VPR 0.04874 0.40864 2.4
4 2G50 PYR 0.04557 0.41153 2.76243
5 1VJ7 GDP 0.04542 0.4141 3.31492
6 4KBA 1QM 0.01765 0.43275 3.8674
7 2G30 ALA ALA PHE 0.004304 0.41037 3.8674
8 4Q0A 4OA 0.02998 0.40059 4.41989
9 2AGC DAO 0.02329 0.42619 7.40741
10 4CCN OGA 0.02446 0.43138 8.57143
11 3PUR 2HG 0.0226 0.43203 18.232
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