Receptor
PDB id Resolution Class Description Source Keywords
4II5 2.15 Å EC: 2.7.11.22 STRUCTURE OF PCDK2/CYCLINA BOUND TO ADP AND 1 MAGNESIUM ION HOMO SAPIENS ADP AND MAGNESIUM BINDING T160 PHOSPHORYLATION TRANSFERASECYCLE COMPLEX
Ref.: PRICE TO BE PAID FOR TWO-METAL CATALYSIS: MAGNESIUM THAT ACCELERATE CHEMISTRY UNAVOIDABLY LIMIT PRODUCT FROM A PROTEIN KINASE J.AM.CHEM.SOC. V. 134 15357 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADP C:301;
A:301;
Valid;
Valid;
none;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
MG C:302;
A:302;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
GOL A:303;
B:502;
C:303;
D:503;
D:502;
D:501;
B:501;
C:304;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2BPM 2.4 Å EC: 2.7.11.22 STRUCTURE OF CDK2-CYCLIN A WITH PHA-630529 HOMO SAPIENS PROTEIN KINASE TRANSFERASE SERINE/THREONINE-PROTEIN KINASE PHOSPHORYLATION CELL DIVISION CYCLIN
Ref.: 3-AMINOPYRAZOLE INHIBITORS OF CDK2-CYCLIN A AS ANTITUMOR AGENTS. 2. LEAD OPTIMIZATION J.MED.CHEM. V. 48 2944 2005
Members (55)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 4CFN ic50 = 49 uM JYM C13 H16 F3 N5 O C1CCC(CC1)....
2 3BHU ic50 = 0.003 uM MHR C14 H15 N5 O CCCOc1ccnc....
3 1E9H ic50 = 35 nM INR C16 H10 N2 O5 S c1ccc2c(c1....
4 4EOL - 1RO C18 H13 N3 O S2 c1cc2cc(cc....
5 1OIU ic50 = 0.21 uM N76 C18 H22 N6 O3 S c1cc(cc(c1....
6 3BHV ic50 = 0.08 uM VAR C14 H11 N7 O c1cnc(n2c1....
7 4EOQ - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
8 2G9X ic50 = 45 nM NU5 C23 H32 N6 O4 S c1cc(ccc1N....
9 3MY5 ic50 = 65 uM RFZ C12 H12 Cl2 N2 O4 c1c2c(cc(c....
10 1P5E - TBS C6 H Br4 N3 c12c(c(c(c....
11 2IW6 ic50 = 0.14 uM QQ2 C24 H27 Cl N6 O2 Cc1ccc(c(c....
12 1OKV ic50 = 0.68 uM ARG ARG LEU ILE PHE NH2 n/a n/a
13 1H1R ic50 = 2.3 uM 6CP C18 H20 Cl N5 O c1cc(cc(c1....
14 1OKW ic50 = 5.6 uM ACE ARG ARG LEU ASN FCL NH2 n/a n/a
15 1OI9 ic50 = 69 nM N20 C18 H21 N5 O2 c1cc(ccc1N....
16 4EON - 1RO C18 H13 N3 O S2 c1cc2cc(cc....
17 4EOJ - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
18 2UZE ic50 = 48 uM C95 C15 H10 N2 O4 S [H]/N=C/1N....
19 1PKD - UCN C28 H26 N4 O4 C[C@@]12[C....
20 4CFV ic50 = 23.5 uM 75X C19 H23 N5 O2 Cc1c(cccc1....
21 3BHT ic50 = 0.011 uM MFR C12 H11 N5 O COc1ccnc2c....
22 2IW8 ic50 = 103 nM 4SP C18 H22 N6 O3 S c1cc(ccc1N....
23 4BCO Ki = 0.131 uM T6Q C23 H26 N8 O S Cc1c(sc(n1....
24 2UUE ic50 = 1.3 uM ARG LEU ILE PFF NH2 GVC n/a n/a
25 1FIN - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
26 4EOI - 1RO C18 H13 N3 O S2 c1cc2cc(cc....
27 4II5 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
28 1VYW ic50 = 37 nM 292 C18 H17 N3 O c1ccc2cc(c....
29 2UZL ic50 = 0.61 uM C94 C15 H10 F3 N3 O4 S2 [H]/N=C/1N....
30 1H24 Kd = 0.5 uM PRO VAL LYS ARG ARG LEU ASP LEU GLU n/a n/a
31 1H1Q ic50 = 1 uM 2A6 C18 H21 N5 O c1ccc(cc1)....
32 3DDQ ic50 ~ 28 uM RRC C19 H26 N6 O CC[C@H](CO....
33 2WEV ic50 = 30 uM ACE ARG ARG B3L MEA NH2 n/a n/a
34 1OIY ic50 ~ 64 nM N41 C19 H22 N6 O2 c1cc(ccc1C....
35 4I3Z Kd = 51.3 mM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
36 4EOP - 1RO C18 H13 N3 O S2 c1cc2cc(cc....
37 2C5O ic50 = 6.5 uM CK2 C9 H10 N4 S Cc1c(sc(n1....
38 2WIH ic50 = 0.045 uM P48 C25 H32 N8 O CC1(Cc2cnc....
39 2IW9 ic50 = 8.9 nM 4SP C18 H22 N6 O3 S c1cc(ccc1N....
40 4EOO - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
41 2BPM ic50 = 2 nM 529 C18 H19 N5 O2 C[C@@H](c1....
42 1H1S Ki = 6 nM 4SP C18 H22 N6 O3 S c1cc(ccc1N....
43 2C5N ic50 = 0.22 uM CK8 C17 H19 N5 S Cc1c(sc(n1....
44 4BCP Ki = 568 nM T3C C21 H24 N8 S Cc1c(sc(n1....
45 3F5X ic50 = 1040 nM EZV C25 H25 N7 CN1CCN(CC1....
46 3QHR - PRO LYS THR PRO LYS LYS ALA LYS LYS LEU n/a n/a
47 4BCK Ki = 0.004 uM T3E C16 H15 N7 O2 S2 Cc1c(sc(n1....
48 1H1P Ki = 12 uM CMG C12 H17 N5 O c1[nH]c2c(....
49 4EOR Ki = 500 nM 4SP C18 H22 N6 O3 S c1cc(ccc1N....
50 1QMZ - HIS HIS ALA SER PRO ARG LYS n/a n/a
51 4EOM - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
52 2CJM - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
53 3QHW - PRO LYS THR PRO LYS LYS ALA LYS LYS LEU n/a n/a
54 3TNW - F18 C9 H10 N6 O c1cc(ccc1/....
55 4CFW ic50 = 0.51 uM SQ9 C19 H24 N6 O3 S Cc1c(cccc1....
70% Homology Family (55)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 4CFN ic50 = 49 uM JYM C13 H16 F3 N5 O C1CCC(CC1)....
2 3BHU ic50 = 0.003 uM MHR C14 H15 N5 O CCCOc1ccnc....
3 1E9H ic50 = 35 nM INR C16 H10 N2 O5 S c1ccc2c(c1....
4 4EOL - 1RO C18 H13 N3 O S2 c1cc2cc(cc....
5 1OIU ic50 = 0.21 uM N76 C18 H22 N6 O3 S c1cc(cc(c1....
6 3BHV ic50 = 0.08 uM VAR C14 H11 N7 O c1cnc(n2c1....
7 4EOQ - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
8 2G9X ic50 = 45 nM NU5 C23 H32 N6 O4 S c1cc(ccc1N....
9 3MY5 ic50 = 65 uM RFZ C12 H12 Cl2 N2 O4 c1c2c(cc(c....
10 1P5E - TBS C6 H Br4 N3 c12c(c(c(c....
11 2IW6 ic50 = 0.14 uM QQ2 C24 H27 Cl N6 O2 Cc1ccc(c(c....
12 1OKV ic50 = 0.68 uM ARG ARG LEU ILE PHE NH2 n/a n/a
13 1H1R ic50 = 2.3 uM 6CP C18 H20 Cl N5 O c1cc(cc(c1....
14 1OKW ic50 = 5.6 uM ACE ARG ARG LEU ASN FCL NH2 n/a n/a
15 1OI9 ic50 = 69 nM N20 C18 H21 N5 O2 c1cc(ccc1N....
16 4EON - 1RO C18 H13 N3 O S2 c1cc2cc(cc....
17 4EOJ - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
18 2UZE ic50 = 48 uM C95 C15 H10 N2 O4 S [H]/N=C/1N....
19 1PKD - UCN C28 H26 N4 O4 C[C@@]12[C....
20 4CFV ic50 = 23.5 uM 75X C19 H23 N5 O2 Cc1c(cccc1....
21 3BHT ic50 = 0.011 uM MFR C12 H11 N5 O COc1ccnc2c....
22 2IW8 ic50 = 103 nM 4SP C18 H22 N6 O3 S c1cc(ccc1N....
23 4BCO Ki = 0.131 uM T6Q C23 H26 N8 O S Cc1c(sc(n1....
24 2UUE ic50 = 1.3 uM ARG LEU ILE PFF NH2 GVC n/a n/a
25 1FIN - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
26 4EOI - 1RO C18 H13 N3 O S2 c1cc2cc(cc....
27 4II5 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
28 1VYW ic50 = 37 nM 292 C18 H17 N3 O c1ccc2cc(c....
29 2UZL ic50 = 0.61 uM C94 C15 H10 F3 N3 O4 S2 [H]/N=C/1N....
30 1H24 Kd = 0.5 uM PRO VAL LYS ARG ARG LEU ASP LEU GLU n/a n/a
31 1H1Q ic50 = 1 uM 2A6 C18 H21 N5 O c1ccc(cc1)....
32 3DDQ ic50 ~ 28 uM RRC C19 H26 N6 O CC[C@H](CO....
33 2WEV ic50 = 30 uM ACE ARG ARG B3L MEA NH2 n/a n/a
34 1OIY ic50 ~ 64 nM N41 C19 H22 N6 O2 c1cc(ccc1C....
35 4I3Z Kd = 51.3 mM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
36 4EOP - 1RO C18 H13 N3 O S2 c1cc2cc(cc....
37 2C5O ic50 = 6.5 uM CK2 C9 H10 N4 S Cc1c(sc(n1....
38 2WIH ic50 = 0.045 uM P48 C25 H32 N8 O CC1(Cc2cnc....
39 2IW9 ic50 = 8.9 nM 4SP C18 H22 N6 O3 S c1cc(ccc1N....
40 4EOO - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
41 2BPM ic50 = 2 nM 529 C18 H19 N5 O2 C[C@@H](c1....
42 1H1S Ki = 6 nM 4SP C18 H22 N6 O3 S c1cc(ccc1N....
43 2C5N ic50 = 0.22 uM CK8 C17 H19 N5 S Cc1c(sc(n1....
44 4BCP Ki = 568 nM T3C C21 H24 N8 S Cc1c(sc(n1....
45 3F5X ic50 = 1040 nM EZV C25 H25 N7 CN1CCN(CC1....
46 3QHR - PRO LYS THR PRO LYS LYS ALA LYS LYS LEU n/a n/a
47 4BCK Ki = 0.004 uM T3E C16 H15 N7 O2 S2 Cc1c(sc(n1....
48 1H1P Ki = 12 uM CMG C12 H17 N5 O c1[nH]c2c(....
49 4EOR Ki = 500 nM 4SP C18 H22 N6 O3 S c1cc(ccc1N....
50 1QMZ - HIS HIS ALA SER PRO ARG LYS n/a n/a
51 4EOM - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
52 2CJM - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
53 3QHW - PRO LYS THR PRO LYS LYS ALA LYS LYS LEU n/a n/a
54 3TNW - F18 C9 H10 N6 O c1cc(ccc1/....
55 4CFW ic50 = 0.51 uM SQ9 C19 H24 N6 O3 S Cc1c(cccc1....
50% Homology Family (55)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 4CFN ic50 = 49 uM JYM C13 H16 F3 N5 O C1CCC(CC1)....
2 3BHU ic50 = 0.003 uM MHR C14 H15 N5 O CCCOc1ccnc....
3 1E9H ic50 = 35 nM INR C16 H10 N2 O5 S c1ccc2c(c1....
4 4EOL - 1RO C18 H13 N3 O S2 c1cc2cc(cc....
5 1OIU ic50 = 0.21 uM N76 C18 H22 N6 O3 S c1cc(cc(c1....
6 3BHV ic50 = 0.08 uM VAR C14 H11 N7 O c1cnc(n2c1....
7 4EOQ - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
8 2G9X ic50 = 45 nM NU5 C23 H32 N6 O4 S c1cc(ccc1N....
9 3MY5 ic50 = 65 uM RFZ C12 H12 Cl2 N2 O4 c1c2c(cc(c....
10 1P5E - TBS C6 H Br4 N3 c12c(c(c(c....
11 2IW6 ic50 = 0.14 uM QQ2 C24 H27 Cl N6 O2 Cc1ccc(c(c....
12 1OKV ic50 = 0.68 uM ARG ARG LEU ILE PHE NH2 n/a n/a
13 1H1R ic50 = 2.3 uM 6CP C18 H20 Cl N5 O c1cc(cc(c1....
14 1OKW ic50 = 5.6 uM ACE ARG ARG LEU ASN FCL NH2 n/a n/a
15 1OI9 ic50 = 69 nM N20 C18 H21 N5 O2 c1cc(ccc1N....
16 4EON - 1RO C18 H13 N3 O S2 c1cc2cc(cc....
17 4EOJ - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
18 2UZE ic50 = 48 uM C95 C15 H10 N2 O4 S [H]/N=C/1N....
19 1PKD - UCN C28 H26 N4 O4 C[C@@]12[C....
20 4CFV ic50 = 23.5 uM 75X C19 H23 N5 O2 Cc1c(cccc1....
21 3BHT ic50 = 0.011 uM MFR C12 H11 N5 O COc1ccnc2c....
22 2IW8 ic50 = 103 nM 4SP C18 H22 N6 O3 S c1cc(ccc1N....
23 4BCO Ki = 0.131 uM T6Q C23 H26 N8 O S Cc1c(sc(n1....
24 2UUE ic50 = 1.3 uM ARG LEU ILE PFF NH2 GVC n/a n/a
25 1FIN - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
26 4EOI - 1RO C18 H13 N3 O S2 c1cc2cc(cc....
27 4II5 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
28 1VYW ic50 = 37 nM 292 C18 H17 N3 O c1ccc2cc(c....
29 2UZL ic50 = 0.61 uM C94 C15 H10 F3 N3 O4 S2 [H]/N=C/1N....
30 1H24 Kd = 0.5 uM PRO VAL LYS ARG ARG LEU ASP LEU GLU n/a n/a
31 1H1Q ic50 = 1 uM 2A6 C18 H21 N5 O c1ccc(cc1)....
32 3DDQ ic50 ~ 28 uM RRC C19 H26 N6 O CC[C@H](CO....
33 2WEV ic50 = 30 uM ACE ARG ARG B3L MEA NH2 n/a n/a
34 1OIY ic50 ~ 64 nM N41 C19 H22 N6 O2 c1cc(ccc1C....
35 4I3Z Kd = 51.3 mM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
36 4EOP - 1RO C18 H13 N3 O S2 c1cc2cc(cc....
37 2C5O ic50 = 6.5 uM CK2 C9 H10 N4 S Cc1c(sc(n1....
38 2WIH ic50 = 0.045 uM P48 C25 H32 N8 O CC1(Cc2cnc....
39 2IW9 ic50 = 8.9 nM 4SP C18 H22 N6 O3 S c1cc(ccc1N....
40 4EOO - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
41 2BPM ic50 = 2 nM 529 C18 H19 N5 O2 C[C@@H](c1....
42 1H1S Ki = 6 nM 4SP C18 H22 N6 O3 S c1cc(ccc1N....
43 2C5N ic50 = 0.22 uM CK8 C17 H19 N5 S Cc1c(sc(n1....
44 4BCP Ki = 568 nM T3C C21 H24 N8 S Cc1c(sc(n1....
45 3F5X ic50 = 1040 nM EZV C25 H25 N7 CN1CCN(CC1....
46 3QHR - PRO LYS THR PRO LYS LYS ALA LYS LYS LEU n/a n/a
47 4BCK Ki = 0.004 uM T3E C16 H15 N7 O2 S2 Cc1c(sc(n1....
48 1H1P Ki = 12 uM CMG C12 H17 N5 O c1[nH]c2c(....
49 4EOR Ki = 500 nM 4SP C18 H22 N6 O3 S c1cc(ccc1N....
50 1QMZ - HIS HIS ALA SER PRO ARG LYS n/a n/a
51 4EOM - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
52 2CJM - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
53 3QHW - PRO LYS THR PRO LYS LYS ALA LYS LYS LEU n/a n/a
54 3TNW - F18 C9 H10 N6 O c1cc(ccc1/....
55 4CFW ic50 = 0.51 uM SQ9 C19 H24 N6 O3 S Cc1c(cccc1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ADP; Similar ligands found: 435
No: Ligand ECFP6 Tc MDL keys Tc
1 ADP 1 1
2 ATP 0.9 1
3 A2D 0.895522 0.971831
4 AQP 0.887324 1
5 5FA 0.887324 1
6 AP5 0.884058 0.971831
7 B4P 0.884058 0.971831
8 BA3 0.869565 0.971831
9 AN2 0.84507 0.985915
10 M33 0.833333 0.958333
11 ACQ 0.826667 0.972222
12 A 0.823529 0.971429
13 AMP 0.823529 0.971429
14 ACP 0.821918 0.972222
15 AR6 0.810811 0.971831
16 APR 0.810811 0.971831
17 ANP 0.802632 0.972222
18 AD9 0.8 0.972222
19 AGS 0.8 0.945946
20 SAP 0.8 0.945946
21 ADX 0.783784 0.873418
22 CA0 0.783784 0.945205
23 TAT 0.779221 0.958904
24 AMP MG 0.774648 0.891892
25 50T 0.773333 0.958333
26 ABM 0.763889 0.917808
27 APC 0.763158 0.958904
28 PRX 0.763158 0.893333
29 ATF 0.759494 0.958904
30 A22 0.753086 0.985915
31 A12 0.743243 0.958904
32 AP2 0.743243 0.958904
33 ADP MG 0.736842 0.905405
34 SRA 0.736111 0.918919
35 ADQ 0.73494 0.945205
36 25L 0.732558 0.985915
37 ADP BEF 0.727273 0.881579
38 BEF ADP 0.727273 0.881579
39 5AL 0.725 0.931507
40 2A5 0.717949 0.918919
41 A1R 0.714286 0.907895
42 AU1 0.714286 0.972222
43 ADP PO3 0.708861 0.943662
44 PAP 0.708861 0.985714
45 ATR 0.708861 0.971429
46 SRP 0.707317 0.906667
47 7D3 0.706667 0.905405
48 25A 0.702381 0.971831
49 ATP MG 0.7 0.905405
50 OAD 0.697674 0.945205
51 RBY 0.6875 0.932432
52 ADV 0.6875 0.932432
53 00A 0.686047 0.883117
54 5SV 0.682353 0.848101
55 8QN 0.682353 0.931507
56 OOB 0.682353 0.931507
57 3OD 0.681818 0.945205
58 BIS 0.681818 0.933333
59 ADP ALF 0.674699 0.87013
60 ALF ADP 0.674699 0.87013
61 AMO 0.674419 0.932432
62 4AD 0.674419 0.92
63 PAJ 0.674419 0.884615
64 GAP 0.670732 0.893333
65 MAP 0.670588 0.945946
66 DLL 0.666667 0.931507
67 ANP MG 0.666667 0.894737
68 VO4 ADP 0.666667 0.931507
69 AHX 0.666667 0.896104
70 ADP VO4 0.666667 0.931507
71 PTJ 0.662921 0.896104
72 3UK 0.659091 0.918919
73 SON 0.658228 0.932432
74 LAD 0.651685 0.860759
75 WAQ 0.651685 0.883117
76 PR8 0.651685 0.85
77 ITT 0.65 0.943662
78 7D4 0.65 0.905405
79 G5P 0.648936 0.921053
80 RAB 0.647059 0.84507
81 ADN 0.647059 0.84507
82 XYA 0.647059 0.84507
83 TXA 0.644444 0.932432
84 1ZZ 0.644444 0.839506
85 ME8 0.644444 0.839506
86 NB8 0.644444 0.896104
87 FYA 0.644444 0.905405
88 6AD 0.642857 0.909091
89 ADP BMA 0.640449 0.918919
90 G3A 0.638298 0.921053
91 DAL AMP 0.632184 0.905405
92 AFH 0.631579 0.884615
93 9SN 0.630435 0.871795
94 GTA 0.625 0.886076
95 YAP 0.623656 0.894737
96 FA5 0.623656 0.906667
97 UP5 0.622449 0.92
98 XAH 0.617021 0.839506
99 AV2 0.616279 0.917808
100 AOC 0.615385 0.821918
101 48N 0.612245 0.896104
102 4UV 0.610526 0.894737
103 TXD 0.606061 0.907895
104 DND 0.606061 0.932432
105 NAX 0.606061 0.873418
106 NXX 0.606061 0.932432
107 NAI 0.606061 0.907895
108 6V0 0.606061 0.896104
109 5N5 0.605634 0.819444
110 5AS 0.604938 0.77907
111 A4P 0.60396 0.843373
112 DAT 0.60241 0.905405
113 A2R 0.602273 0.985915
114 TXE 0.6 0.907895
115 OMR 0.6 0.851852
116 4UU 0.597938 0.894737
117 A A 0.597826 0.944444
118 A4D 0.597222 0.819444
119 5CD 0.597222 0.805556
120 AP0 0.594059 0.896104
121 4TC 0.594059 0.896104
122 A3P 0.592593 0.971429
123 139 0.592233 0.873418
124 T5A 0.592233 0.841463
125 7D5 0.592105 0.878378
126 ATP A A A 0.589474 0.930556
127 LAQ 0.585859 0.839506
128 MYR AMP 0.585106 0.817073
129 YLP 0.58 0.819277
130 UPA 0.578431 0.907895
131 7DD 0.578313 0.985714
132 ADJ 0.576923 0.851852
133 3AM 0.576923 0.929577
134 COD 0.575472 0.811765
135 NAD 0.575472 0.931507
136 3AT 0.574713 0.971831
137 JB6 0.574468 0.883117
138 4UW 0.574257 0.860759
139 EP4 0.573333 0.753247
140 A2P 0.573171 0.957143
141 CNA 0.571429 0.932432
142 TYM 0.568627 0.906667
143 PPS 0.568182 0.873418
144 TYR AMP 0.56701 0.881579
145 DTA 0.565789 0.786667
146 M2T 0.565789 0.734177
147 AR6 AR6 0.565657 0.917808
148 A3D 0.564815 0.918919
149 3DH 0.564103 0.773333
150 G5A 0.563218 0.77907
151 YLB 0.563107 0.819277
152 YLC 0.563107 0.839506
153 AMP DBH 0.561224 0.893333
154 MTA 0.558442 0.773333
155 DTP 0.556818 0.905405
156 AHZ 0.554455 0.817073
157 NA7 0.553191 0.958904
158 IOT 0.552381 0.831325
159 7MD 0.55 0.8625
160 ZAS 0.55 0.766234
161 IMO 0.548781 0.929577
162 YLA 0.54717 0.819277
163 NAE 0.544643 0.894737
164 TAD 0.544554 0.884615
165 A5A 0.544444 0.807229
166 2AM 0.544304 0.943662
167 TSB 0.543478 0.819277
168 6RE 0.54321 0.759494
169 AYB 0.542056 0.809524
170 NAQ 0.539823 0.871795
171 V3L 0.539326 0.971831
172 ARG AMP 0.539216 0.829268
173 AF3 ADP 3PG 0.538462 0.8375
174 SSA 0.538462 0.8
175 LA8 ALF 3PG 0.538462 0.8375
176 ALF ADP 3PG 0.538462 0.8375
177 ZID 0.535088 0.918919
178 LPA AMP 0.533981 0.817073
179 54H 0.532609 0.788235
180 52H 0.532609 0.77907
181 VMS 0.532609 0.788235
182 BTX 0.53211 0.841463
183 J7C 0.53012 0.769231
184 A3N 0.53012 0.786667
185 5X8 0.528736 0.763158
186 BT5 0.527273 0.831325
187 5CA 0.526882 0.8
188 53H 0.526882 0.77907
189 ARU 0.526316 0.860759
190 EAD 0.525862 0.873418
191 RGT 0.525253 0.958904
192 OVE 0.52439 0.905405
193 S4M 0.52381 0.666667
194 7DT 0.522727 0.985714
195 GDP 0.522222 0.92
196 DDS 0.522222 0.878378
197 AVV 0.521277 0.896104
198 NDE 0.521008 0.932432
199 7MC 0.518868 0.841463
200 DSH 0.518072 0.725
201 MAO 0.517647 0.759036
202 LSS 0.515789 0.761364
203 DSZ 0.515789 0.8
204 NSS 0.515789 0.8
205 P5A 0.515464 0.744444
206 DZD 0.513514 0.884615
207 NVA LMS 0.510417 0.761364
208 12D 0.509615 0.785714
209 NAD IBO 0.509091 0.87013
210 M24 0.508772 0.85
211 YLY 0.508772 0.809524
212 P1H 0.508333 0.851852
213 5AD 0.506849 0.746479
214 GJV 0.505882 0.75
215 LEU LMS 0.505155 0.761364
216 G A A A 0.504505 0.871795
217 4TA 0.504505 0.807229
218 NAJ PZO 0.504425 0.848101
219 KAA 0.5 0.752809
220 NDC 0.5 0.871795
221 7D7 0.5 0.743243
222 71V 0.5 0.907895
223 A3G 0.5 0.8
224 128 0.5 0.776471
225 GSU 0.5 0.77907
226 N0B 0.495726 0.819277
227 NJP 0.495495 0.945946
228 ODP 0.495495 0.909091
229 2SA 0.494624 0.932432
230 6C6 0.494505 0.881579
231 SFG 0.494382 0.75
232 0WD 0.491071 0.921053
233 YSA 0.490196 0.77907
234 PO4 PO4 A A A A PO4 0.489796 0.902778
235 6IA 0.48913 0.8375
236 SAM 0.48913 0.690476
237 A7D 0.488636 0.776316
238 6FA 0.488 0.841463
239 FB0 0.487805 0.804598
240 NAJ PYZ 0.487179 0.85
241 IDP 0.483516 0.918919
242 A5D 0.483516 0.786667
243 SA8 0.483516 0.707317
244 MHZ 0.483146 0.697674
245 PGS 0.483146 0.883117
246 D5M 0.482353 0.878378
247 DA 0.482353 0.878378
248 NEC 0.482353 0.746667
249 NIA 0.481928 0.822785
250 Y3J 0.480519 0.726027
251 FAD 0.480315 0.851852
252 FAS 0.480315 0.851852
253 FDA 0.48 0.833333
254 N6P 0.479592 0.915493
255 GGZ 0.479167 0.825
256 SAH 0.478261 0.74359
257 SAI 0.478261 0.734177
258 NPW 0.477477 0.886076
259 NDP 0.477477 0.921053
260 AAM 0.476744 0.971429
261 AMZ 0.47561 0.916667
262 C2R 0.47561 0.90411
263 A A A 0.474747 0.905405
264 GTP 0.473684 0.92
265 U A G G 0.473684 0.883117
266 SMM 0.473684 0.686047
267 TXP 0.473214 0.921053
268 NZQ 0.473214 0.909091
269 A3S 0.47191 0.810811
270 AMP NAD 0.470588 0.881579
271 SFD 0.46875 0.734043
272 AIR 0.468354 0.901408
273 AAT 0.468085 0.707317
274 EEM 0.468085 0.690476
275 Z5A 0.466667 0.77907
276 7C5 0.466667 0.818182
277 J7V 0.466667 0.833333
278 62F 0.465649 0.8625
279 FAY 0.462121 0.8625
280 ETB 0.461538 0.833333
281 DCA 0.461538 0.823529
282 A3T 0.461538 0.821918
283 A6D 0.46 0.722892
284 A U 0.459459 0.87013
285 6K6 0.459184 0.930556
286 GEK 0.459184 0.7375
287 RFL 0.458647 0.821429
288 S7M 0.458333 0.690476
289 NAP 0.458333 0.945205
290 4YB 0.457944 0.761364
291 WSA 0.454545 0.788235
292 TAP 0.454545 0.907895
293 FNK 0.454545 0.804598
294 COA 0.453782 0.823529
295 0T1 0.453782 0.823529
296 101 0.453488 0.878378
297 XNP 0.452174 0.873418
298 NA0 0.45082 0.932432
299 7RP 0.448276 0.928571
300 GP3 0.446809 0.921053
301 TM1 0.446602 0.77381
302 APU 0.446429 0.894737
303 PUA 0.445378 0.884615
304 V1N 0.443396 0.917808
305 7RA 0.443182 0.957747
306 30N 0.442623 0.752688
307 CAO 0.442623 0.795455
308 AMX 0.442623 0.833333
309 COS 0.442623 0.804598
310 ACK 0.44186 0.861111
311 QQY 0.44186 0.815789
312 649 0.441441 0.744444
313 0UM 0.44 0.698795
314 NHD 0.439655 0.905405
315 CMX 0.439024 0.823529
316 SCO 0.439024 0.823529
317 GCP 0.438776 0.896104
318 8BR 0.438202 0.906667
319 GNH 0.4375 0.907895
320 3AD 0.4375 0.805556
321 62X 0.435644 0.666667
322 ACO 0.435484 0.795455
323 FCX 0.435484 0.795455
324 FAM 0.435484 0.804598
325 GNP 0.434343 0.896104
326 NMX 0.433071 0.76087
327 MGP 0.43299 0.884615
328 PLP AAD 0.432203 0.741573
329 26A 0.432099 0.763158
330 HAX 0.432 0.804598
331 K15 0.431373 0.682353
332 DG1 0.430894 0.921053
333 1DG 0.430894 0.921053
334 QQX 0.430233 0.805195
335 2VA 0.430108 0.8
336 S8M 0.43 0.759494
337 2MC 0.429688 0.769231
338 3KK 0.428571 0.804598
339 6G0 0.428571 0.884615
340 FYN 0.428571 0.823529
341 P5F 0.428571 0.823529
342 NAD BBN 0.428571 0.841463
343 U G A 0.427481 0.839506
344 AS 0.426966 0.833333
345 FAI 0.426966 0.916667
346 RMB 0.426966 0.873239
347 1RB 0.425287 0.885714
348 MCD 0.425197 0.804598
349 OXK 0.425197 0.804598
350 COK 0.425197 0.804598
351 CA6 0.425197 0.729167
352 SOP 0.425197 0.804598
353 G1R 0.424242 0.907895
354 CC5 0.423077 0.816901
355 SXZ 0.423077 0.710843
356 F2N 0.422535 0.813953
357 NAD CJ3 0.422222 0.811765
358 ANZ 0.422018 0.8
359 CMC 0.421875 0.804598
360 CO6 0.421875 0.804598
361 1VU 0.421875 0.795455
362 ZDA 0.421053 0.864865
363 GDD 0.420561 0.884615
364 GKE 0.420561 0.884615
365 GDC 0.420561 0.884615
366 NFD 0.420168 0.883117
367 GSP 0.42 0.873418
368 D3Y 0.42 0.789474
369 MC4 0.419847 0.76087
370 3L1 0.419753 0.773333
371 3D1 0.419753 0.773333
372 FA9 0.41958 0.864198
373 5GP 0.419355 0.906667
374 G 0.419355 0.906667
375 KB1 0.419048 0.698795
376 SCD 0.418605 0.823529
377 CAJ 0.418605 0.804598
378 2BA 0.417582 0.915493
379 CMP 0.417582 0.901408
380 SO8 0.416667 0.789474
381 N01 0.416667 0.905405
382 VRT 0.416667 0.769231
383 3HC 0.415385 0.813953
384 A1S 0.415385 0.804598
385 BCO 0.415385 0.804598
386 IVC 0.415385 0.813953
387 MLC 0.415385 0.804598
388 1HE 0.415385 0.786517
389 NMN AMP PO4 0.415254 0.87013
390 2FA 0.414634 0.813333
391 MGO 0.414141 0.860759
392 3NZ 0.413462 0.782051
393 MCA 0.412214 0.795455
394 CAA 0.412214 0.813953
395 YE1 0.412214 0.813953
396 COO 0.412214 0.804598
397 GAV 0.411765 0.884615
398 P2P 0.411111 0.902778
399 JLN 0.411111 0.890411
400 ZZB 0.410256 0.77381
401 CNV FAD 0.410072 0.793103
402 SCA 0.409091 0.804598
403 RP1 0.409091 0.842105
404 103 0.409091 0.837838
405 2CP 0.409091 0.795455
406 SP1 0.409091 0.842105
407 PAX 0.408 0.829268
408 FAD NBT 0.407143 0.75
409 NVA 2AD 0.40625 0.74359
410 COW 0.406015 0.795455
411 BYC 0.406015 0.804598
412 2KQ 0.406015 0.786517
413 COF 0.406015 0.786517
414 3CP 0.406015 0.804598
415 IRC 0.406015 0.813953
416 1GZ 0.406015 0.795455
417 HGG 0.406015 0.804598
418 CA8 0.406015 0.729167
419 G2P 0.405941 0.884615
420 SLU 0.404959 0.770115
421 U A C C 0.404959 0.858974
422 RBZ 0.404494 0.849315
423 1CZ 0.404412 0.795455
424 BCA 0.402985 0.795455
425 FAQ 0.402985 0.804598
426 4CA 0.402985 0.795455
427 MTP 0.402439 0.730769
428 8OD 0.402062 0.945205
429 CO7 0.401515 0.804598
430 DAL FAD PER 0.401408 0.809524
431 G2R 0.4 0.884615
432 HXC 0.4 0.786517
433 ENQ 0.4 0.916667
434 GMV 0.4 0.896104
435 GRA 0.4 0.804598
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2BPM; Ligand: 529; Similar sites found: 208
This union binding pocket(no: 1) in the query (biounit: 2bpm.bio1) has 47 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5GZ9 ANP 0.0000002606 0.43729 3.01887
2 3TPV ADE 0.01344 0.41809 3.01887
3 4GYI ADP 0.0001206 0.53745 3.39623
4 2B6N ALA PRO THR 0.02951 0.42026 3.39623
5 2YW2 ATP 0.002978 0.44562 4.15094
6 5I35 ANP 0.0000004034 0.40312 4.5283
7 4OCJ NDG 0.0001379 0.41074 4.53074
8 3TM0 ANP 0.0006394 0.44271 5.32319
9 3TM0 B31 0.0007658 0.43689 5.32319
10 5NCY 8TK 0.00002873 0.4113 5.66038
11 2XG5 EC2 0.01996 0.42448 5.78035
12 2XG5 EC5 0.01996 0.42448 5.78035
13 4ANW O92 0.000003745 0.44008 6.03774
14 5EQY 5RA 0.0005235 0.4146 6.41509
15 1IA9 ANP 0.00002699 0.54615 7.54717
16 4OFG PCG 0.0222 0.42053 7.63889
17 4O1P ANP 0.00000001452 0.43751 8.09062
18 3W0O ADP 0.00003186 0.40828 8.09062
19 3W0O HY0 0.00003186 0.40828 8.09062
20 4PU5 ANP 0.003492 0.43573 8.41424
21 1Z2P ACP 0.004023 0.40037 8.73786
22 1Z2P I3S 0.004023 0.40037 8.73786
23 2V68 CAP 0.02663 0.4011 9.0566
24 5DMZ ADP 0.000002157 0.40537 9.43396
25 1TQP ATP 0.00001109 0.40788 10.9929
26 5IQD RIO 0.00001213 0.4428 11.8033
27 5IQD GNP 0.00001019 0.4421 11.8033
28 4NZN 2OU 0.001066 0.41048 12.4528
29 4NZN ANP 0.001066 0.41048 12.4528
30 3SJK LYS PRO VAL LEU ARG THR ALA 0.009166 0.45573 13.1579
31 4WW7 AMP 0.0000003583 0.42667 17.1123
32 4DFU QUE 0.003308 0.47828 18.0124
33 4OAV ACP 0.00000003798 0.42241 18.123
34 5C4L 4XR 0.00001258 0.42192 18.3801
35 5C4L SIS 0.00001422 0.42014 18.3801
36 3ZJX BOG 0.00999 0.45244 18.4906
37 5VC5 96M 0.000000003331 0.49903 23.1834
38 4BTK DTQ 0.0000001909 0.42318 23.6246
39 3VHE 42Q 0.000001234 0.44463 25.2427
40 5KO1 6UY 0.0000002718 0.40838 25.7951
41 5W4W 9WG 0.0000008448 0.45283 25.89
42 4KBA 1QM 0.00001451 0.41019 25.89
43 4XH0 ADP 0.000001625 0.6662 27.8317
44 4IX4 ADP 0.000002002 0.40767 29.1262
45 2CSN CKI 0.0005368 0.41968 29.2929
46 4EUU BX7 0.0000001496 0.4539 30.0971
47 4IDT T28 0.0000001099 0.41191 30.0971
48 4FL3 ANP 0.0000001855 0.44123 30.4207
49 3KRL KRL 0.00000006225 0.43821 30.4207
50 3PP0 03Q 0.000003177 0.55621 30.7443
51 5T8O 76Z 0.00000002015 0.68618 31.3916
52 5HCY 60D 0.00000004686 0.53039 31.3916
53 5JFS 6K0 0.0000004512 0.48797 31.8182
54 3UIM ANP 0.00000002056 0.43911 32.0388
55 4CLI 5P8 0.00000006432 0.52613 32.3625
56 4Y8D 49J 0.00000009127 0.42662 32.3625
57 5TA6 79D 0.000000003522 0.50147 32.6861
58 5UIU 8CG 0.0000002904 0.46231 32.6861
59 3FC2 IBI 0.00009409 0.45181 32.6861
60 2R5T ANP 0.0000001709 0.4428 32.6861
61 4U44 3D9 0.0000009658 0.40583 32.6861
62 4P5Z Q7M 0.0000005834 0.47978 33.0097
63 5LPZ ADP 0.000000001683 0.45504 33.0097
64 4OH4 ANP 0.000000004569 0.45094 33.0097
65 2X2M X2M 0.00000005768 0.4441 33.0097
66 1U59 STU 0.00000000789 0.44472 33.101
67 3NW7 LGV 0.000006555 0.46896 33.2248
68 4E93 GUI 0.00000000554 0.51789 33.3333
69 3LXK MI1 0.0000001707 0.46291 33.3333
70 4Y93 746 0.0000001407 0.45354 33.3333
71 3LXN MI1 0.00000003094 0.44754 33.3333
72 3TKI S25 0.000000002321 0.59173 33.657
73 1U5R ATP 0.000000001051 0.45756 33.657
74 2HY0 306 0.00000002361 0.41482 33.657
75 5NKB 8ZT 0.00000001822 0.58138 33.6601
76 1VJY 460 0.000000007559 0.51251 33.6634
77 5AX9 4KT 0.0000005378 0.41197 33.7662
78 2XVD AS6 0.00000001722 0.4942 33.7748
79 4AT3 LTI 0.00000192 0.43704 33.7793
80 5HES 032 0.0000009634 0.41491 33.8762
81 4GJ3 0XP 0.00000001916 0.5002 34.106
82 4YZN 4K5 0.000000000126 0.50824 34.1463
83 5U6C 7YS 0.00000001346 0.45995 34.3042
84 5HX8 66P 0.000000005617 0.4906 34.4371
85 5EOB 5QQ 0.0000003596 0.52131 34.6278
86 5MJA 7O3 0.0000001045 0.40614 34.7541
87 3EKK GS2 0.000000005399 0.53576 34.8534
88 3KRR DQX 0.0000001104 0.54803 34.9153
89 3BU5 ATP 0.0000000006732 0.46207 34.9673
90 2Y6O 1N1 0.00000003112 0.44829 35.0515
91 4X7Q 3YR 0.000000011 0.71584 35.2564
92 3V8S 0HD 0.000000002749 0.4364 35.2751
93 4XLI 1N1 0.00000003984 0.41655 35.4478
94 5TO8 7FM 0.00000002424 0.52333 35.461
95 4F4P 0SB 0.0000000215 0.56692 35.5311
96 2WQN ADP 0.0000004044 0.66494 35.5987
97 2GU8 796 0.000000003159 0.59035 35.5987
98 1RE8 BD2 0.000000001176 0.58758 35.5987
99 4QMN DB8 0.0000000003618 0.5634 35.5987
100 3IDB ANP 0.000000009409 0.46898 35.5987
101 2QCS ANP 0.0000002056 0.45549 35.5987
102 3FHI ANP 0.0000002083 0.45329 35.5987
103 4E1Z 0MX 0.0000002075 0.43927 35.7388
104 4N70 2HX 0.0000000004513 0.60823 35.9223
105 2PZI AXX 0.0000532 0.55577 35.9223
106 3CY2 MB9 0.000000001966 0.47937 35.9223
107 4WB7 ATP 0.000003364 0.45074 35.9223
108 3PLS ANP 0.0000000004303 0.45831 36.2416
109 4WB6 ATP 0.0000002465 0.45257 36.246
110 4K33 ACP 0.0000001806 0.4252 36.246
111 4U0I 0LI 0.00004195 0.40517 36.246
112 3RI1 3RH 0.000000005464 0.49154 36.5696
113 1Y57 MPZ 0.00000001154 0.46811 36.5696
114 2PVF ACP 0.00000000628 0.43661 36.5696
115 2H8H H8H 0.0000007202 0.40366 36.5696
116 5USZ SKE 0.0000001629 0.46296 36.6782
117 3SLS ANP 0.0000009181 0.4233 36.8421
118 5JKG 6LF 0.000004369 0.45398 36.8932
119 1OPK P16 0.000009287 0.42396 36.8932
120 4EWH T77 0.00000009005 0.4684 37.0909
121 1BYG STU 0.00000001818 0.42284 37.4101
122 5LI1 ANP 0.0000001733 0.43806 37.5405
123 5MY8 RXZ 0.0000005448 0.43629 37.5405
124 4A4X JUP 0.0000001699 0.45508 37.6344
125 4OTH DRN 0.000000005209 0.46624 37.8641
126 3FHR P4O 0.000002405 0.59595 38.1877
127 5UR1 YY9 0.0000003776 0.49952 38.1877
128 3GNI ATP 0.0000001073 0.43025 38.1877
129 3GQI ACP 0.00000005833 0.42832 38.1877
130 2A19 ANP 0.000000004722 0.77602 38.3803
131 3E8N ATP 0.001628 0.42404 38.5113
132 3E8N VRA 0.001628 0.42404 38.5113
133 4AG8 AXI 0.000006673 0.50898 38.835
134 2Z7R STU 0.0000000001557 0.50126 38.835
135 3ORK AGS 0.000002927 0.42796 38.835
136 4ASE AV9 0.00001294 0.40645 38.835
137 3SRV S19 0.000000001745 0.44691 38.9892
138 4RFM 3P6 0.000039 0.44896 39.0977
139 5FBN 5WF 0.000003004 0.45152 39.1144
140 3M2W L8I 0.00000003666 0.41102 39.1304
141 4NW6 2NS 0.00000001363 0.50738 39.1586
142 4I6H 1C8 0.0000001485 0.4204 39.2857
143 3G5D 1N1 0.00000002171 0.56276 39.5105
144 5VCV 1N1 0.000000009121 0.47547 39.8058
145 5C03 AGS 0.0000006583 0.40621 39.8058
146 4WNP 3RJ 0.0000000001896 0.44341 40.4181
147 4XV1 904 0.0000001311 0.48252 40.7534
148 5N87 N66 0.000000006396 0.52733 41.1003
149 4M69 ANP 0.0000006253 0.42579 41.2141
150 3BZ3 YAM 0.0000009616 0.47711 41.3043
151 3VRY B43 0.000005162 0.55219 41.4239
152 3HMO STU 0.0000000001025 0.46224 41.4239
153 4YZC STU 0.00000004004 0.50997 41.7476
154 3ALN ANP 0.0000002952 0.42901 41.7476
155 4BHN BH9 0.0000003679 0.41911 41.7476
156 4TWP AXI 0.000001776 0.48305 42.0664
157 5IH9 6BF 0.00000001575 0.51769 42.0712
158 3QCQ 3Q0 0.000000005753 0.61127 42.3948
159 5LVP ATP 0.000000008808 0.4219 42.7184
160 3KN5 ANP 0.00000003031 0.41445 42.7184
161 4CQE CQE 0.0000004662 0.41983 42.8058
162 2OFV 242 0.0000006805 0.46993 42.9603
163 4JR7 GNP 0.000000007546 0.44411 43.0421
164 2V7O DRN 0.000000000368 0.41985 43.0421
165 2VZ6 FEF 0.000001053 0.64352 43.3657
166 4D2S DYK 0.000000004329 0.42114 43.662
167 5LI9 ACP 0.00000001332 0.70298 43.6893
168 3PVW QRX 0.00000007056 0.62659 43.6893
169 3MVH WFE 0.00000002454 0.48757 43.6893
170 4BFM ANP 0.000000002073 0.47323 43.6893
171 4JDI ANP 0.0000001825 0.43144 43.6893
172 4FG8 ATP 0.0000005632 0.4215 43.6893
173 5UKL SIX 0.000006302 0.42135 43.6893
174 5JZJ AN2 0.00000007252 0.42317 44.1077
175 4WNK 453 0.0000003638 0.46457 44.3366
176 2VN9 GVD 0.00000000213 0.40932 44.8505
177 2JDR L20 0.00000000289 0.59309 44.9838
178 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.00000000289 0.59309 44.9838
179 1XJD STU 0.000000004409 0.45614 44.9838
180 2X4Z X4Z 0.0000001689 0.48589 45.6081
181 4F9C 0SX 0.0000002628 0.40437 45.6311
182 5DRB 5FJ 0.00001232 0.4601 46.3918
183 3GGF GVD 0.00000007342 0.41481 46.5116
184 1Q8Y ADP 0.00000004828 0.44621 46.6019
185 3DAK ANP 0.0000001083 0.41124 46.8966
186 4KS7 X4Z 0.00000001711 0.67389 46.9178
187 3C0G 3AM 0.000000002041 0.42465 46.9256
188 1PHK ATP 0.0000000007347 0.47712 46.9799
189 5UOX 8GY 0.00000005953 0.44175 47.2325
190 4L3L 5FI 0.00000001259 0.49735 47.3684
191 2HK5 1BM 0.00000001352 0.45014 47.4074
192 3IGO ANP 0.000000147 0.63886 47.5728
193 5X8I SQZ 0.0000000006011 0.46947 47.5728
194 3SXF BK5 0.00003014 0.4224 47.5728
195 2WU6 DKI 0.000000000448 0.50326 47.8964
196 5JGA 6KC 0.0000000929 0.48049 47.8964
197 4IJP 1EH 0.000000001372 0.47236 48.2201
198 2YAB AMP 0.00000002327 0.44606 48.2201
199 3SXS PP2 0.000001047 0.40905 48.5075
200 5DH3 5BS 0.000001089 0.40816 48.5437
201 4YLL 4E3 0.00000001794 0.47049 48.8673
202 3TXO 07U 0.00000007987 0.41573 48.8673
203 5DEY 59T 0.0000005007 0.51532 49.1582
204 3OFM 4B0 0.00000001247 0.41866 49.1909
205 2ZV2 609 0.0000002403 0.6861 49.3289
206 4C2V YJA 0.0000001602 0.47129 49.4737
207 2YAK OSV 0.0000000004132 0.53607 49.8246
208 3PE2 E1B 0.00000005704 0.53431 49.8382
Pocket No.: 2; Query (leader) PDB : 2BPM; Ligand: 529; Similar sites found: 3
This union binding pocket(no: 2) in the query (biounit: 2bpm.bio2) has 53 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3SHR CMP 0.01835 0.43324 8.3612
2 2HKA C3S 0.03323 0.40367 10.7692
3 4KU7 PCG 0.04696 0.4078 15.6863
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