Receptor
PDB id Resolution Class Description Source Keywords
1JYR 1.55 Å NON-ENZYME: SIGNAL_HORMONE XRAY STRUCTURE OF GRB2 SH2 DOMAIN COMPLEXED WITH A PHOSPHORY PEPTIDE HOMO SAPIENS RECEPTOR BINDING REGULATORY INHIBITOR SIGNALING PROTEIN-ICOMPLEX
Ref.: CRYSTAL STRUCTURES OF THE SH2 DOMAIN OF GRB2: HIGHL THE BINDING OF A NEW HIGH-AFFINITY INHIBITOR. J.MOL.BIOL. V. 315 1167 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ALA PRO SER PTR VAL ASN VAL GLN ASN L:1000;
Valid;
none;
Kd = 18 nM
1069.03 n/a [P+](...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1JYQ 2 Å NON-ENZYME: SIGNAL_HORMONE XRAY STRUCTURE OF GRB2 SH2 DOMAIN COMPLEXED WITH A HIGHLY AF PHOSPHO PEPTIDE HOMO SAPIENS RECEPTOR BINDING REGULATORY SIGNALING PROTEIN-SIGNALING PRINHIBITOR SIGNALING PROTEIN-PEPTIDE INHIBITOR COMPLEX
Ref.: CRYSTAL STRUCTURES OF THE SH2 DOMAIN OF GRB2: HIGHL THE BINDING OF A NEW HIGH-AFFINITY INHIBITOR. J.MOL.BIOL. V. 315 1167 2002
Members (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 263 families.
1 3MXY Kd = 384 nM GLN ASN GLY PTR VAL ASN PRO THR TYR n/a n/a
2 1JYQ Kd = 2.5 nM MAZ PTR PTM ASN n/a n/a
3 3WA4 - SER ASP PTR MET ASN MET THR n/a n/a
4 3MXC Kd = 286 nM GLN ASN GLY PTR GLU ASN PRO THR TYR n/a n/a
5 3N7Y Ka = 10000000 M^-1 PTR VAL ASN VAL 011 n/a n/a
6 2AOB - S1S C41 H46 N4 O10 c1ccc2c(c1....
7 1JYR Kd = 18 nM ALA PRO SER PTR VAL ASN VAL GLN ASN n/a n/a
8 1ZFP ic50 = 26 nM BE2 GLU PTR ILE ASN GLN NH2 n/a n/a
9 2AOA - S1S C41 H46 N4 O10 c1ccc2c(c1....
10 1TZE ic50 = 148 nM LYS PRO PHE PTR VAL ASN VAL NH2 n/a n/a
70% Homology Family (20)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 196 families.
1 3IMJ Ka = 2100000 M^-1 AYI C22 H32 N5 O9 P CC[C@H](C)....
2 3C7I Ka = 440000 M^-1 TVN C21 H32 N5 O9 P CC(C)[C@@H....
3 3S8O Ka = 6960000 M^-1 ACE PTR 02K ASN NH2 n/a n/a
4 3IN8 Ka = 400000 M^-1 FYI C22 H34 N5 O9 P CC[C@H](C)....
5 1BMB ic50 = 0.7 uM LYS PRO PHE PTR VAL ASN VAL GLU PHE n/a n/a
6 3KFJ Ka = 300000 M^-1 YEN C21 H30 N5 O11 P CNC(=O)C[C....
7 3IN7 Ka = 1200000 M^-1 AYQ C21 H29 N6 O10 P CNC(=O)[C@....
8 4P9V Kd = 0.154 uM PHQ PTR 02K ASN NH2 n/a n/a
9 3OVE Ka = 3700000 M^-1 ACT PTR 03E ASN NH2 n/a n/a
10 1BM2 ic50 = 0.11 uM ACE SLZ PTR VAL ASN VAL PRO n/a n/a
11 4P9Z Kd = 87.7 nM NMI PTR 02K ASN NH2 n/a n/a
12 3OV1 Ka = 160000 M^-1 ACT PTR 1AC ASN NH2 n/a n/a
13 2HUW Ka = 1000000 M^-1 YVN C21 H30 N5 O9 P CC(C)[C@@H....
14 3N8M Ka = 6500000 M^-1 6NA PTR VAL ASN VAL 9PR n/a n/a
15 3S8N Ka = 1610000 M^-1 ACE PTR AC5 ASN NH2 n/a n/a
16 3MXY Kd = 384 nM GLN ASN GLY PTR VAL ASN PRO THR TYR n/a n/a
17 1JYQ Kd = 2.5 nM MAZ PTR PTM ASN n/a n/a
18 3N7Y Ka = 10000000 M^-1 PTR VAL ASN VAL 011 n/a n/a
19 2AOB - S1S C41 H46 N4 O10 c1ccc2c(c1....
20 1JYR Kd = 18 nM ALA PRO SER PTR VAL ASN VAL GLN ASN n/a n/a
50% Homology Family (77)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 171 families.
1 3S9K - CIT C6 H8 O7 C(C(=O)O)C....
2 3IMJ Ka = 2100000 M^-1 AYI C22 H32 N5 O9 P CC[C@H](C)....
3 3C7I Ka = 440000 M^-1 TVN C21 H32 N5 O9 P CC(C)[C@@H....
4 3S8O Ka = 6960000 M^-1 ACE PTR 02K ASN NH2 n/a n/a
5 3IN8 Ka = 400000 M^-1 FYI C22 H34 N5 O9 P CC[C@H](C)....
6 1BMB ic50 = 0.7 uM LYS PRO PHE PTR VAL ASN VAL GLU PHE n/a n/a
7 3KFJ Ka = 300000 M^-1 YEN C21 H30 N5 O11 P CNC(=O)C[C....
8 1FYR ic50 = 2.4 uM ACE PTR VAL ASN VAL n/a n/a
9 3S8L Ka = 430000 M^-1 ACE PTR 192 ASN NH2 n/a n/a
10 3IN7 Ka = 1200000 M^-1 AYQ C21 H29 N6 O10 P CNC(=O)[C@....
11 4P9V Kd = 0.154 uM PHQ PTR 02K ASN NH2 n/a n/a
12 3OVE Ka = 3700000 M^-1 ACT PTR 03E ASN NH2 n/a n/a
13 1BM2 ic50 = 0.11 uM ACE SLZ PTR VAL ASN VAL PRO n/a n/a
14 4P9Z Kd = 87.7 nM NMI PTR 02K ASN NH2 n/a n/a
15 3OV1 Ka = 160000 M^-1 ACT PTR 1AC ASN NH2 n/a n/a
16 2HUW Ka = 1000000 M^-1 YVN C21 H30 N5 O9 P CC(C)[C@@H....
17 3N8M Ka = 6500000 M^-1 6NA PTR VAL ASN VAL 9PR n/a n/a
18 3S8N Ka = 1610000 M^-1 ACE PTR AC5 ASN NH2 n/a n/a
19 3IMD Ka = 560000 M^-1 FYQ C21 H31 N6 O10 P CNC(=O)C[C....
20 3N84 - PTR VAL ASN VAL PRO 011 n/a n/a
21 1O4N ic50 > 40 mM OXD C2 H2 O4 C(=O)(C(=O....
22 1O44 ic50 = 3 nM 852 C34 H35 N3 O9 CC(=O)N[C@....
23 1O4G ic50 > 5 mM I59 C11 H11 O4 P c1ccc2c(c1....
24 1SHD ic50 = 0.67 uM ACE PTR GLU GLU ILE GLU n/a n/a
25 1O4O ic50 = 3.5 mM HPS C6 H7 O4 P c1ccc(cc1)....
26 1A08 Kd = 2.4 uM ACE FTY GLU DIP n/a n/a
27 1A07 Kd = 0.4 uM ACE PTR GLU DIP n/a n/a
28 1A1B Kd = 0.4 uM ACE PTR GLU DIP n/a n/a
29 1NZV Kd = 0.4 uM PRO GLN PTR ILE PTR VAL PRO ALA n/a n/a
30 1O4L ic50 > 40 mM CIT C6 H8 O7 C(C(=O)O)C....
31 1SHA - PTR VAL PRO MET LEU n/a n/a
32 1F1W - SER PTR VAL ASN VAL GLN ASN n/a n/a
33 1O4P ic50 = 2.5 mM 791 C9 H8 O4 c1ccc(cc1)....
34 1O49 ic50 = 437 nM 493 C32 H36 N3 O9 P CC(=O)N[C@....
35 1O47 ic50 = 4 nM 822 C31 H34 F2 N3 O6 P CC(=O)N[C@....
36 1A1A - ACE PTH GLU DIP n/a n/a
37 1SHB - PTR LEU ARG VAL ALA n/a n/a
38 1O4B ic50 = 2000 nM 876 C30 H35 N3 O9 P2 CC(=O)N[C@....
39 1IS0 Kd = 0.1 uM AY0 GLU GLU ILE n/a n/a
40 1A1E Kd = 1 uM ACE PTR GLU DIY n/a n/a
41 4F5B - PTR C9 H12 N O6 P c1cc(ccc1C....
42 1BKM - 1C5 C26 H39 N4 O10 P CC(=O)N[C@....
43 1O4Q ic50 = 3.2 mM 256 C8 H8 O5 S c1ccc(cc1)....
44 1SKJ ic50 = 7 uM UR2 C25 H38 N3 O10 P CN(CCCC1CC....
45 1A1C Kd = 0.4 uM ACE PTR GLU DIX n/a n/a
46 1O4H ic50 = 3.6 mM 772 C10 H7 N2 O4 P c1cc2ccc(n....
47 1P13 - CYS ASP PTR ALA ASN PHE LYS n/a n/a
48 1KC2 Kd = 0.21 uM PRO GLN PTR GLU GLU ILE PRO ILE n/a n/a
49 1O4R ic50 = 3.9 mM 787 C7 H10 O6 P2 c1ccc(cc1)....
50 1O46 ic50 = 10 nM 903 C35 H36 F N3 O9 CC(=O)N[C@....
51 1NZL Kd = 0.07 uM PRO GLN PTR GLU PTR ILE PRO ALA n/a n/a
52 1O4M ic50 > 40 mM MLA C3 H4 O4 C(C(=O)O)C....
53 1O4F ic50 = 0.3 mM 790 C9 H12 N O4 P c1cc2c(c(c....
54 1O42 ic50 = 9 nM 843 C30 H34 N3 O7 P CC(=O)N[C@....
55 3MXY Kd = 384 nM GLN ASN GLY PTR VAL ASN PRO THR TYR n/a n/a
56 1JYQ Kd = 2.5 nM MAZ PTR PTM ASN n/a n/a
57 3WA4 - SER ASP PTR MET ASN MET THR n/a n/a
58 3MXC Kd = 286 nM GLN ASN GLY PTR GLU ASN PRO THR TYR n/a n/a
59 3N7Y Ka = 10000000 M^-1 PTR VAL ASN VAL 011 n/a n/a
60 2AOB - S1S C41 H46 N4 O10 c1ccc2c(c1....
61 1JYR Kd = 18 nM ALA PRO SER PTR VAL ASN VAL GLN ASN n/a n/a
62 1ZFP ic50 = 26 nM BE2 GLU PTR ILE ASN GLN NH2 n/a n/a
63 2AOA - S1S C41 H46 N4 O10 c1ccc2c(c1....
64 1TZE ic50 = 148 nM LYS PRO PHE PTR VAL ASN VAL NH2 n/a n/a
65 1LKK Kd = 140 nM ACE PTR GLU GLU ILE ACE n/a n/a
66 1BHF Ki = 42 uM ACE 1PA GLU GLU ILE n/a n/a
67 1CWD - PRO GLU GLY ASP PM3 GLU GLU VAL LEU n/a n/a
68 1LKL Kd = 1540 nM ACE PTR GLU GLU GLY n/a n/a
69 1FBZ - CC1 C30 H41 N3 O10 P2 CC(=O)N[C@....
70 1IJR - CC0 C29 H38 N3 O10 P C[C@@H](c1....
71 1CWE - ACE GLN PM3 GLU GLU ILE PRO n/a n/a
72 5GJI - SER ASP PTR MET ASN MET THR PRO n/a n/a
73 5GJH - SER ASP PTR MET ASN MET THR PRO n/a n/a
74 1LCK - GLU GLY GLN PTR GLN PRO GLN PRO ALA n/a n/a
75 1R1S - ACE PRO ASP PTR GLU ASN LEU n/a n/a
76 1R1P - ACE ASP ASP PTR VAL ASN VAL n/a n/a
77 1R1Q - ACE ARG GLU PTR VAL ASN VAL n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ALA PRO SER PTR VAL ASN VAL GLN ASN; Similar ligands found: 74
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA PRO SER PTR VAL ASN VAL GLN ASN 1 1
2 SER PTR VAL ASN VAL GLN ASN 0.68595 0.805556
3 LYS PRO PHE PTR VAL ASN VAL GLU PHE 0.653061 0.893333
4 LYS PRO PHE PTR VAL ASN VAL NH2 0.611111 0.88
5 6NA PTR VAL ASN VAL 9PR 0.568345 0.87013
6 GLU VAL PTR GLU SER PRO 0.543478 0.944444
7 PRO GLN PTR ILE PTR VAL PRO ALA 0.543046 0.831169
8 GLN ASN GLY PTR VAL ASN PRO THR TYR 0.540541 0.932432
9 GLN ASN GLY PTR GLU ASN PRO THR TYR 0.52 0.930556
10 GLU GLY GLN PTR GLN PRO GLN PRO ALA 0.513158 0.863014
11 SER ASP PTR MET ASN MET THR PRO 0.509934 0.909091
12 PRO GLN PTR GLU PTR ILE PRO ALA 0.509677 0.818182
13 PRO GLN PTR GLU GLU ILE PRO ILE 0.503226 0.84
14 ACE LEU TYR ALA SER SER ASN PRO ALA PTR 0.5 0.96
15 PHE SER ALA PTR PRO SER GLU GLU ASP 0.493671 0.905405
16 PTR VAL PRO MET LEU 0.493056 0.805195
17 PHE SER HIS PRO GLN ASN THR 0.490196 0.789474
18 LYS PRO ILE VAL GLN TYR ASP ASN PHE 0.481707 0.792208
19 ARG PRO GLY ASN PHE PHE GLN SER ARG PRO 0.481481 0.75
20 THR PRO TYR ASP ILE ASN GLN MET LEU 0.47561 0.794872
21 ARG PRO GLY ASN PHE LEU GLN SER ARG PRO 0.473373 0.78481
22 ACE ARG GLU PTR VAL ASN VAL 0.472973 0.753247
23 ILE THR ASP GLN VAL PRO PHE SER VAL 0.471698 0.810811
24 PHE ASN PHE PRO GLN ILE THR 0.469799 0.763158
25 ALA GLY SER VAL GLU GLN TPO PRO LYS LYS 0.465839 0.90411
26 VAL SER GLN ASN TYR PRO ILE VAL GLN ASN 0.464516 0.851351
27 ALA PRO GLN PRO ALA PRO GLU ASN ALA TYR 0.464516 0.835616
28 LYS PRO SEP GLN GLU LEU 0.463768 0.849315
29 ACE ALA PRO GLN VAL STA VAL MET HIS PRO 0.460606 0.75
30 ACE ASP ASP PTR VAL ASN VAL 0.457143 0.722222
31 PHE LEU PRO SER ASP PHE PHE PRO SER VAL 0.453333 0.776316
32 ARG PRO GLY ASN PHE LEU GLN SER ARG LEU 0.452941 0.772152
33 PHE GLN PRO GLN ASN GLY GLN PHE ILE 0.44586 0.714286
34 ILE MET ASP GLN VAL PRO PHE SER VAL 0.442424 0.75641
35 GLN VAL PRO SER ASP PRO TYR ASN TYR 0.442308 0.876712
36 GLU SER ASP PRO ILE VAL ALA GLN TYR 0.439024 0.851351
37 ACE PTR VAL ASN VAL 0.43609 0.722222
38 SER PRO HIS ASN PRO ILE SER ASP VAL ASP 0.435714 0.797297
39 ARG VAL ILE PTR PHE VAL PRO LEU ASN ARG 0.435374 0.802632
40 TRP GLU TYR ILE PRO ASN VAL 0.434524 0.759494
41 SER PHE PHE GLU ASP ASN PHE VAL PRO GLU 0.434211 0.824324
42 GLN ASN TYR PRO ILE VAL GLN 0.431373 0.810811
43 TYR PRO ASN VAL ASN ILE HIS ASN PHE 0.429412 0.772152
44 DVA DPR GLY DSN DGN DHI DTY DAS DSN 0.428571 0.842105
45 ACE PRO ASP PTR GLU ASN LEU 0.427632 0.918919
46 ARG PRO GLY ASN PHE LEU GLN SER SER PRO 0.425287 0.772152
47 ASN LEU VAL PRO GLN VAL ALA THR VAL 0.424837 0.780822
48 N7P THR SEP PRO SER TYR SET 0.423077 0.918919
49 VAL SER PHE ASN FRD PRO GLN ILE THR ALA 0.422619 0.779221
50 LYS LEU PRO ALA GLN PHE TYR ILE LEU 0.422619 0.74026
51 LEU PRO PHE GLU LYS SER THR VAL MET 0.422619 0.75641
52 SER GLN TYR TYR TYR ASN SER LEU 0.42029 0.666667
53 PHE CYS HIS PRO GLN ASN THR NH2 0.418301 0.75
54 THR PRO GLN ASP LEU ASN THR MET LEU 0.417722 0.753247
55 ASP PHE GLU GLU ILE PRO GLY GLU PTR 0.416185 0.831169
56 MET GLN SER TPO PRO LEU 0.412903 0.831169
57 LYS LEU TYR GLN ASN PRO THR THR TYR ILE 0.411765 0.792208
58 ASP ARG VAL GLU LEU ASN ALA PRO ARG GLN 0.411392 0.708861
59 ALA CYS SEP PRO GLN PHE GLY 0.411392 0.849315
60 PHE SER ALA PTR VAL SER GLU GLU ASP 0.410959 0.702703
61 ASN LEU VAL PRO SER VAL ALA THR VAL 0.410596 0.808219
62 LEU SER SER PRO VAL THR LYS SER PHE 0.408805 0.783784
63 SER THR SEP PRO THR PHE ASN LYS 0.408284 0.90411
64 SER ILE TYR PHE TPO PRO GLU LEU TYR ASP 0.407821 0.907895
65 ALA ASN SER ARG PHE PRO THR SER ILE ILE 0.405882 0.772152
66 ARG LEU TYR GLN ASN PRO THR THR TYR ILE 0.405714 0.768293
67 ARG ILE PRO SER TYR ARG TYR ARG TYR 0.404908 0.743902
68 BE2 GLU PTR ILE ASN GLN NH2 0.403846 0.683544
69 LYS GLN GLU PRO GLN GLU ILE ASP PHE 0.403614 0.693333
70 PHE ASN ARG PRO VAL 0.402685 0.74026
71 TYR SEP PRO THR SEP PRO SER 0.402685 0.90411
72 GLN LEU SER PRO PHE PRO PHE ASP LEU 0.401235 0.810811
73 PHE PRO THR LYS ASP VAL ALA LEU 0.401235 0.77027
74 PHE TYR ALA PRO GLU PRO ILE THR SER LEU 0.401163 0.818182
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1JYQ; Ligand: MAZ PTR PTM ASN; Similar sites found: 139
This union binding pocket(no: 1) in the query (biounit: 1jyq.bio2) has 50 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1SS4 GSH 0.001778 0.53026 None
2 3BHO B4P 0.002997 0.50305 None
3 2OFE NAG 0.002157 0.47856 None
4 3LTW HLZ 0.003018 0.47135 None
5 1WGC SIA GAL BGC 0.01659 0.4604 None
6 1QD0 RR6 0.00235 0.44892 None
7 1NU4 MLA 0.03998 0.43827 None
8 3UEC ALA ARG TPO LYS 0.01849 0.4378 None
9 2QCX PF1 0.01453 0.43241 None
10 2QLX RM4 0.03195 0.42553 None
11 1EJE FMN 0.003972 0.42325 None
12 4M51 BEZ 0.04883 0.42111 None
13 3DER ALA LYS 0.003671 0.41765 None
14 1SS4 CIT 0.0358 0.4168 None
15 1SG4 CO8 0.002146 0.41037 None
16 4IXW IXW 0.02861 0.4098 None
17 4E1M TQ2 0.02677 0.40729 None
18 4M4Q 21A 0.004285 0.40601 None
19 1ECM TSA 0.03667 0.40487 None
20 4WVH ASP HIS ASP ALA HIS ALA 0.01279 0.42569 1.04167
21 4B9E FAH 0.0001259 0.54851 2.08333
22 1YOA FMN 0.03038 0.45298 2.08333
23 1UF5 CDT 0.008802 0.4286 2.08333
24 2YCD GTB 0.02672 0.40373 2.08333
25 1ZJ6 G3D 0.01146 0.41953 2.13904
26 2Q37 3AL 0.0003997 0.5071 3.125
27 2W3L DRO 0.004884 0.48222 3.125
28 2VDJ HSE 0.02784 0.43425 3.125
29 2F2U M77 0.006695 0.43382 3.125
30 3M31 FAD 0.0009138 0.43254 3.125
31 3O2K QRP 0.008914 0.42836 3.125
32 1B5E DCM 0.03026 0.40869 3.125
33 2NZ2 ASP 0.03683 0.40868 3.87409
34 1O9U ADZ 0.005576 0.47906 4.16667
35 2PTR 2SA 0.0004237 0.43359 4.16667
36 3GJB AKG 0.01026 0.43002 4.16667
37 3RF4 FUN 0.02974 0.41306 4.16667
38 3D3H M4O 0.01624 0.40597 4.16667
39 1T10 F6P 0.0003723 0.50857 5.20833
40 3MD0 GDP 0.006299 0.4396 5.20833
41 4K30 NLG 0.008555 0.43835 5.20833
42 1TUV VK3 0.04894 0.42676 5.20833
43 2BH9 NAP 0.00847 0.41747 5.20833
44 3QV9 QV7 0.03108 0.41646 5.20833
45 2Y6P CTP 0.02136 0.41163 5.20833
46 1E1O LYS 0.003366 0.40672 5.20833
47 2IMF GSH 0.004295 0.40598 5.20833
48 2IMF TOM 0.004295 0.40598 5.20833
49 2O2C G6Q 0.01647 0.40572 5.20833
50 4PTZ FMN 0.01584 0.40003 5.20833
51 4F8L GAL 0.02681 0.45627 6.25
52 2EB5 OXL 0.006554 0.45471 6.25
53 4N7C AEF 0.009718 0.45214 6.25
54 3R51 MMA 0.03071 0.43809 6.25
55 2B7N NTM 0.01392 0.43331 6.25
56 1SQ5 PAU 0.01098 0.4333 6.25
57 2Q1A 2KT 0.02065 0.42997 6.25
58 1SJD NPG 0.001265 0.42425 6.25
59 4OB6 S2T 0.007136 0.42049 6.25
60 2ZJF BSU 0.01565 0.4176 6.25
61 2HNK SAH 0.005009 0.41595 6.25
62 1DBT U5P 0.00842 0.41066 6.25
63 3V91 UPG 0.005459 0.40821 6.25
64 1KYZ SAH 0.01011 0.40759 6.25
65 2O66 FLC 0.04946 0.40662 6.25
66 1SQ5 ADP 0.02739 0.40327 6.25
67 4F4S EFO 0.03211 0.4115 6.57895
68 4E28 9MZ 0.004141 0.46457 7.29167
69 4LWM MHO 0.04226 0.45811 7.29167
70 1Q11 TYE 0.01033 0.43453 7.29167
71 4KCT PYR 0.008375 0.43401 7.29167
72 1NNS ASP 0.01016 0.42585 7.29167
73 4E28 0MZ 0.02151 0.4242 7.29167
74 4KCT FDP 0.01277 0.41751 7.29167
75 2ZJ5 ADP 0.0297 0.41742 7.29167
76 1KTC NGA 0.02452 0.417 7.29167
77 3QXG TLA 0.00512 0.41559 7.29167
78 2HFK E4H 0.03447 0.41004 7.29167
79 2Q09 DI6 0.03795 0.40419 7.29167
80 1FW1 GSH 0.02611 0.40076 7.29167
81 3NFZ 3NF 0.03197 0.40037 7.29167
82 3BY8 MLT 0.01489 0.44264 8.33333
83 3QDY CBS 0.01787 0.43857 8.33333
84 3QDT A2G GAL 0.03161 0.43129 8.33333
85 1ZZ7 S0H 0.01293 0.43 8.33333
86 4RJK PYR 0.03558 0.42853 8.33333
87 1Y75 NAG 0.01179 0.42729 8.33333
88 3GTD MLI 0.02117 0.42453 8.33333
89 3QDY A2G GAL 0.04832 0.42136 8.33333
90 2NCD ADP 0.03663 0.41299 8.33333
91 1S8F GDP 0.01642 0.4092 8.33333
92 2A2X NA9 0.002649 0.43003 9.375
93 4COQ SAN 0.0218 0.4288 9.375
94 1WDA BAG 0.02893 0.40958 9.375
95 3TKA SAM 0.007556 0.4061 9.375
96 1YRX FMN 0.02053 0.40514 9.375
97 1Z4V DAN 0.02864 0.40243 9.375
98 3JQ3 ADP 0.03613 0.4015 9.375
99 2IYG FMN 0.0301 0.4015 9.375
100 3SJ7 NDP 0.00284 0.40096 9.375
101 3PLN U5P 0.003039 0.45923 10.4167
102 1PEA ACM 0.01321 0.45153 10.4167
103 1RZM E4P 0.01613 0.44085 10.4167
104 2YLD CMO 0.01499 0.4369 10.4167
105 1RZM PEP 0.01113 0.43303 10.4167
106 1QO0 BMD 0.02165 0.42896 10.4167
107 2FR6 CTN 0.01318 0.40312 10.4167
108 3I0O SMI 0.002468 0.46931 11.4583
109 1CKM GTP 0.002945 0.45449 11.4583
110 3I0O ADP 0.008587 0.42907 11.4583
111 1MZV AMP 0.01085 0.42461 11.4583
112 3I51 45C 0.02955 0.40184 11.4583
113 4LHM AZZ 0.01432 0.43271 12.5
114 3CQ5 PMP 0.0133 0.42493 12.5
115 1Z44 NPO 0.03846 0.44675 13.5417
116 1C1L GAL BGC 0.0325 0.42515 13.5417
117 1EB9 HBA 0.01032 0.42147 13.5417
118 2Q28 ADP 0.006025 0.41293 13.5417
119 1H8G CHT 0.02012 0.46381 13.6842
120 1GJW MAL 0.0002148 0.49923 14.5833
121 1GJW GLC 0.008456 0.45524 14.5833
122 1W3R PYR 0.04891 0.42107 14.5833
123 3P7I P7I 0.01546 0.42638 15.625
124 4J7H TLO 0.004092 0.41592 15.625
125 4J7H TRH 0.007307 0.40977 15.625
126 3KJQ B94 0.0326 0.4 16.6667
127 2ZWS PLM 0.001876 0.5256 17.7083
128 1ULE GLA GAL NAG 0.006253 0.46877 17.7083
129 2Q8H TF4 0.009344 0.46671 17.7083
130 2EJU SAH 0.001832 0.43621 17.7083
131 1F1V DHY 0.02049 0.4164 18.75
132 1T0S BML 0.001908 0.49607 19.7917
133 3DGB MUC 0.006173 0.43102 21.875
134 3SHR CMP 0.02083 0.41212 21.875
135 3A1I UNU 0.01667 0.41639 26.0417
136 1UO5 PIH 0.01443 0.47251 26.4706
137 3F81 STT 0.02051 0.44783 27.0833
138 3TFC PEP 0.01389 0.42855 32.2917
139 2WA4 069 0.004048 0.43884 33.3333
Pocket No.: 2; Query (leader) PDB : 1JYQ; Ligand: MAZ PTR PTM ASN; Similar sites found: 42
This union binding pocket(no: 2) in the query (biounit: 1jyq.bio2) has 37 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2WGC SIA GAL BGC 0.00304 0.50036 None
2 1XX4 BAM 0.00676 0.46235 None
3 1G8S MET 0.01871 0.42079 None
4 1EYE PMM 0.006629 0.41758 None
5 2Z9V PXM 0.02674 0.40418 None
6 4C6F NCD 0.01943 0.40215 None
7 4C6F DOR 0.01943 0.40215 None
8 3MAG 3MA 0.0008124 0.52178 4.16667
9 1F5F DHT 0.003327 0.41734 4.16667
10 3DG6 MUC 0.006102 0.41495 5.20833
11 4MOB ADP 0.008454 0.40378 5.20833
12 1I0Z OXM 0.01013 0.45298 6.25
13 2WMO GTP 0.01207 0.40313 6.25
14 1E4E ADP 0.006607 0.40261 6.25
15 4CCO OGA 0.02971 0.40211 6.25
16 3ZPG 5GP 0.01643 0.44174 7.29167
17 1Y9Q MED 0.01353 0.42753 7.29167
18 2JBH 5GP 0.007746 0.42354 7.29167
19 1V6A TRE 0.01537 0.41976 7.29167
20 5RHN 8BR 0.003154 0.42218 8.33333
21 3TKA CTN 0.007941 0.48949 9.375
22 4M5P 23W 0.04198 0.41394 9.375
23 3D2Y AH0 ALA FGA LYS 0.007064 0.40154 9.375
24 1TV5 N8E 0.003222 0.4141 10.4167
25 2FR6 URI 0.005691 0.405 10.4167
26 3E5P PPI 0.0009306 0.55346 11.4583
27 2PP3 LGT 0.003676 0.42372 13.5417
28 2XDQ MGX 0.04728 0.41698 13.5417
29 2FOI JPA 0.01076 0.41302 13.5417
30 1Z44 FMN 0.01409 0.40044 13.5417
31 2C5S AMP 0.006957 0.42557 14.5833
32 3CF6 SP1 0.00424 0.4172 15.625
33 2WCI GSH 0.02798 0.40765 16.6667
34 4DN8 BMA 0.0375 0.40622 17.7083
35 2Y7P SAL 0.02656 0.40431 17.7083
36 2E1A MSE 0.005214 0.43101 18.6667
37 3BRE C2E 0.03309 0.40885 18.75
38 3GX0 GDS 0.002148 0.41683 20.8333
39 1K6M AGS 0.001714 0.41318 20.8333
40 1XE7 GUN 0.01212 0.44881 26.0417
41 2JGS BTN 0.02528 0.40745 28.125
42 3P3N AKG 0.02605 0.41386 33.3333
Feedback