Receptor
PDB id Resolution Class Description Source Keywords
2X32 1.55 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
IMD A:1175;
B:1175;
B:1176;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
69.085 C3 H5 N2 c1c[n...
OTP A:1174;
B:1174;
Valid;
Valid;
none;
none;
submit data
722.911 C40 H68 O7 P2 CC(=C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2X32 1.55 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 2X32 - OTP C40 H68 O7 P2 CC(=CCC/C(....
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 2X32 - OTP C40 H68 O7 P2 CC(=CCC/C(....
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 2X32 - OTP C40 H68 O7 P2 CC(=CCC/C(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: OTP; Similar ligands found: 34
No: Ligand ECFP6 Tc MDL keys Tc
1 OTP 1 1
2 ZTP 1 1
3 GRG 1 0.975
4 FPP 1 0.975
5 VTP 1 1
6 GPP 0.911111 0.95
7 DSL 0.744681 0.925
8 0K3 0.744681 0.925
9 FJP 0.744681 0.9
10 FDF 0.727273 0.883721
11 FFF 0.714286 0.906977
12 FGG 0.590164 0.906977
13 FPF 0.57377 0.906977
14 2CF 0.57377 0.906977
15 10E 0.568627 0.6875
16 10D 0.568627 0.767442
17 MGM 0.5625 0.75
18 DMA 0.5625 0.825
19 A4S 0.558824 0.685185
20 3E9 0.555556 0.928571
21 FPS 0.551724 0.860465
22 GGS 0.551724 0.860465
23 H6P 0.54902 0.767442
24 FPQ 0.539683 0.808511
25 10G 0.538462 0.75
26 FII 0.507937 0.655172
27 GST 0.482759 0.837209
28 PS7 0.48 0.886364
29 FHP 0.473684 0.744186
30 1NH 0.457831 0.755102
31 0FV 0.442623 0.883721
32 LA6 0.442623 0.883721
33 749 0.428571 0.875
34 SZH 0.428571 0.644068
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2X32; Ligand: OTP; Similar sites found: 77
This union binding pocket(no: 1) in the query (biounit: 2x32.bio2) has 46 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5IXG OTP 0.0000003694 0.51152 None
2 1OGZ EQU 0.001967 0.47498 None
3 1N5S ADL 0.001845 0.4673 None
4 3KFF XBT 0.01942 0.4356 None
5 3KFF ZBT 0.01942 0.4356 None
6 1OPB RET 0.005772 0.43558 None
7 1OGX EQU 0.01261 0.42954 None
8 1N9L FMN 0.009522 0.42523 None
9 2Z6D FMN 0.0115 0.42132 None
10 2PR5 FMN 0.0122 0.42009 None
11 3AI3 SOE 0.04365 0.41586 None
12 2V0U FMN 0.01524 0.41549 None
13 3QUG GIX 0.03823 0.41523 None
14 2Z6C FMN 0.01665 0.41364 None
15 5EFW FMN 0.01763 0.41246 None
16 2Z77 HE7 0.02071 0.40625 None
17 4B1L FRU 0.04974 0.40306 None
18 5FPX GLY SER SER HIS HIS HIS HIS HIS 0.02816 0.4027 None
19 2GC0 PAN 0.03446 0.40126 None
20 5DJU FMN 0.02693 0.40088 None
21 4MVK ACE VAL PHE PHE ALA GLU ASP NH2 0.01143 0.40724 1.67598
22 1MFD GLA MMA ABE 0.03965 0.40415 1.67598
23 4R38 RBF 0.03114 0.40059 2.14286
24 4XMF HSM 0.001421 0.50571 2.23464
25 2WH8 II2 0.01098 0.44476 2.23464
26 1UNB AKG 0.006908 0.40902 2.23464
27 1UNB PN1 0.005643 0.40782 2.23464
28 1OI6 TMP 0.04684 0.41397 2.7933
29 2GVJ DGB 0.02281 0.40427 2.7933
30 3A6T 8OG 0.03645 0.40297 3.10078
31 2CM4 RCL 0.004692 0.43312 3.33333
32 4QCK ASD 0.02069 0.4186 3.35196
33 5F2T PLM 0.01873 0.41744 3.35196
34 2OVD DAO 0.04705 0.41523 3.35196
35 4QDF 30Q 0.01108 0.42877 3.91061
36 3O2K DST 0.03601 0.42057 3.91061
37 2HZQ STR 0.04982 0.41453 4.02299
38 4Q0A 4OA 0.01193 0.42056 4.46927
39 4AZT LY2 0.03181 0.41588 4.46927
40 5NBW 8SK 0.0412 0.40648 4.46927
41 2E27 AB0 0.00668 0.44757 4.7619
42 2YKL NLD 0.00302 0.46538 5.02793
43 4EES FMN 0.007142 0.4279 5.21739
44 4FFG LBS 0.008497 0.40037 5.58659
45 1NJJ ORX 0.02454 0.40011 5.58659
46 2R5V HHH 0.0107 0.43699 6.14525
47 4MZU TYD 0.03888 0.4198 6.14525
48 5C3R HMU 0.01539 0.4184 6.14525
49 5C3R AKG 0.01539 0.4184 6.14525
50 1SN0 T44 0.01568 0.42838 6.70391
51 2AXR ABL 0.03982 0.41954 6.70391
52 4RSE A6V 0.04135 0.40021 6.70391
53 3N29 GOL 0.02065 0.42907 7.26257
54 1OW4 2AN 0.02789 0.41536 7.75194
55 3T50 FMN 0.006943 0.43176 7.8125
56 2Z5Y HRM 0.0186 0.43234 7.82123
57 4POS NAG SIA GAL 0.04762 0.40646 7.82123
58 2YG2 S1P 0.01132 0.41854 8.13953
59 1H8S AIC 0.009511 0.44815 8.33333
60 1IIU RTL 0.02318 0.40125 8.62069
61 4KBA 1QM 0.01839 0.43261 8.93855
62 3P7N FMN 0.01741 0.41271 8.93855
63 2YOO K2B 0.02967 0.40161 8.93855
64 3IX8 TX3 0.01367 0.40385 9.24856
65 3ZJX BOG 0.00902 0.4596 9.49721
66 5MOB A8S 0.01421 0.43452 9.49721
67 3PNA CMP 0.04227 0.41282 9.74026
68 4H6B 10Y 0.01765 0.42953 9.74359
69 4H6B 10X 0.02867 0.41473 9.74359
70 3CF6 SP1 0.03168 0.40603 10.0559
71 2WA4 069 0.006286 0.44893 10.6145
72 2HKA C3S 0.00398 0.44325 12.3077
73 5IXH OTP 0.000000007405 0.55617 14.2857
74 3PUR 2HG 0.02107 0.43458 18.9944
75 1O6U PLM 0.02548 0.41077 20.1117
76 3T7V MD0 0.04994 0.41254 23.4637
77 4IAW LIZ 0.001524 0.48576 24.581
Pocket No.: 2; Query (leader) PDB : 2X32; Ligand: OTP; Similar sites found: 27
This union binding pocket(no: 2) in the query (biounit: 2x32.bio1) has 45 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5FU3 BGC BGC BGC 0.03155 0.42496 None
2 2Z77 NCA 0.04391 0.41493 None
3 3QRC SCR 0.02387 0.40788 None
4 1DZK PRZ 0.03387 0.40378 None
5 3FW3 ETS 0.03056 0.40019 1.67598
6 2BYC FMN 0.04684 0.40276 2.18978
7 5AIG VPR 0.04348 0.41137 2.4
8 3KYG 5GP 5GP 0.03036 0.40033 2.7933
9 1GT4 UNA 0.008852 0.43274 3.14465
10 1VJ7 GDP 0.03998 0.41722 3.35196
11 4RW3 IPD 0.04657 0.40973 3.91061
12 5U9J GER 0.03921 0.41383 5.32544
13 4LOO SB4 0.02551 0.40687 5.81717
14 4NVP 7CH 0.01928 0.41934 6.70391
15 1JQD HSM 0.03804 0.41092 6.70391
16 2WKQ FMN 0.01301 0.41791 7.26257
17 4CCN OGA 0.02279 0.43305 8.57143
18 4YVN EBS 0.01364 0.44456 8.93855
19 2PFC PLM 0.02145 0.42049 10.0559
20 3RGA LSB 0.02446 0.41084 10.0559
21 4J8T DOG 0.03428 0.40661 10.219
22 3KP6 SAL 0.0466 0.41037 10.596
23 2G30 ALA ALA PHE 0.002655 0.42939 10.8527
24 5CJF 520 0.04533 0.40351 11.7318
25 3KYF 5GP 5GP 0.008491 0.4455 13.8528
26 2PNC CLU 0.01841 0.43437 13.9665
27 3URB DPF 0.04894 0.41273 16.7598
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