-->
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 (56)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 14 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 6GUC Kd = 25 nM SU9 C13 H11 N3 O2 COc1ccc2c(....
22 3BHT ic50 = 0.011 uM MFR C12 H11 N5 O COc1ccnc2c....
23 2IW8 ic50 = 103 nM 4SP C18 H22 N6 O3 S c1cc(ccc1N....
24 4BCO Ki = 0.131 uM T6Q C23 H26 N8 O S Cc1c(sc(n1....
25 2UUE ic50 = 1.3 uM ARG LEU ILE PFF NH2 GVC n/a n/a
26 1FIN - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
27 4EOI - 1RO C18 H13 N3 O S2 c1cc2cc(cc....
28 4II5 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
29 1VYW ic50 = 37 nM 292 C18 H17 N3 O c1ccc2cc(c....
30 2UZL ic50 = 0.61 uM C94 C15 H10 F3 N3 O4 S2 [H]/N=C/1N....
31 1H24 Kd = 0.5 uM PRO VAL LYS ARG ARG LEU ASP LEU GLU n/a n/a
32 1H1Q ic50 = 1 uM 2A6 C18 H21 N5 O c1ccc(cc1)....
33 3DDQ ic50 ~ 28 uM RRC C19 H26 N6 O CC[C@H](CO....
34 2WEV ic50 = 30 uM ACE ARG ARG B3L MEA NH2 n/a n/a
35 1OIY ic50 ~ 64 nM N41 C19 H22 N6 O2 c1cc(ccc1C....
36 4I3Z Kd = 51.3 mM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
37 4EOP - 1RO C18 H13 N3 O S2 c1cc2cc(cc....
38 2C5O ic50 = 6.5 uM CK2 C9 H10 N4 S Cc1c(sc(n1....
39 2WIH ic50 = 0.045 uM P48 C25 H32 N8 O CC1(Cc2cnc....
40 2IW9 ic50 = 8.9 nM 4SP C18 H22 N6 O3 S c1cc(ccc1N....
41 4EOO - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
42 2BPM ic50 = 2 nM 529 C18 H19 N5 O2 C[C@@H](c1....
43 1H1S Ki = 6 nM 4SP C18 H22 N6 O3 S c1cc(ccc1N....
44 2C5N ic50 = 0.22 uM CK8 C17 H19 N5 S Cc1c(sc(n1....
45 4BCP Ki = 568 nM T3C C21 H24 N8 S Cc1c(sc(n1....
46 3F5X ic50 = 1040 nM EZV C25 H25 N7 CN1CCN(CC1....
47 3QHR - PRO LYS THR PRO LYS LYS ALA LYS LYS LEU n/a n/a
48 4BCK Ki = 0.004 uM T3E C16 H15 N7 O2 S2 Cc1c(sc(n1....
49 1H1P Ki = 12 uM CMG C12 H17 N5 O c1[nH]c2c(....
50 4EOR Ki = 500 nM 4SP C18 H22 N6 O3 S c1cc(ccc1N....
51 1QMZ - HIS HIS ALA SER PRO ARG LYS n/a n/a
52 4EOM - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
53 2CJM - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
54 3QHW - PRO LYS THR PRO LYS LYS ALA LYS LYS LEU n/a n/a
55 3TNW - F18 C9 H10 N6 O c1cc(ccc1/....
56 4CFW ic50 = 0.51 uM SQ9 C19 H24 N6 O3 S Cc1c(cccc1....
70% Homology Family (56)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 12 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 6GUC Kd = 25 nM SU9 C13 H11 N3 O2 COc1ccc2c(....
22 3BHT ic50 = 0.011 uM MFR C12 H11 N5 O COc1ccnc2c....
23 2IW8 ic50 = 103 nM 4SP C18 H22 N6 O3 S c1cc(ccc1N....
24 4BCO Ki = 0.131 uM T6Q C23 H26 N8 O S Cc1c(sc(n1....
25 2UUE ic50 = 1.3 uM ARG LEU ILE PFF NH2 GVC n/a n/a
26 1FIN - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
27 4EOI - 1RO C18 H13 N3 O S2 c1cc2cc(cc....
28 4II5 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
29 1VYW ic50 = 37 nM 292 C18 H17 N3 O c1ccc2cc(c....
30 2UZL ic50 = 0.61 uM C94 C15 H10 F3 N3 O4 S2 [H]/N=C/1N....
31 1H24 Kd = 0.5 uM PRO VAL LYS ARG ARG LEU ASP LEU GLU n/a n/a
32 1H1Q ic50 = 1 uM 2A6 C18 H21 N5 O c1ccc(cc1)....
33 3DDQ ic50 ~ 28 uM RRC C19 H26 N6 O CC[C@H](CO....
34 2WEV ic50 = 30 uM ACE ARG ARG B3L MEA NH2 n/a n/a
35 1OIY ic50 ~ 64 nM N41 C19 H22 N6 O2 c1cc(ccc1C....
36 4I3Z Kd = 51.3 mM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
37 4EOP - 1RO C18 H13 N3 O S2 c1cc2cc(cc....
38 2C5O ic50 = 6.5 uM CK2 C9 H10 N4 S Cc1c(sc(n1....
39 2WIH ic50 = 0.045 uM P48 C25 H32 N8 O CC1(Cc2cnc....
40 2IW9 ic50 = 8.9 nM 4SP C18 H22 N6 O3 S c1cc(ccc1N....
41 4EOO - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
42 2BPM ic50 = 2 nM 529 C18 H19 N5 O2 C[C@@H](c1....
43 1H1S Ki = 6 nM 4SP C18 H22 N6 O3 S c1cc(ccc1N....
44 2C5N ic50 = 0.22 uM CK8 C17 H19 N5 S Cc1c(sc(n1....
45 4BCP Ki = 568 nM T3C C21 H24 N8 S Cc1c(sc(n1....
46 3F5X ic50 = 1040 nM EZV C25 H25 N7 CN1CCN(CC1....
47 3QHR - PRO LYS THR PRO LYS LYS ALA LYS LYS LEU n/a n/a
48 4BCK Ki = 0.004 uM T3E C16 H15 N7 O2 S2 Cc1c(sc(n1....
49 1H1P Ki = 12 uM CMG C12 H17 N5 O c1[nH]c2c(....
50 4EOR Ki = 500 nM 4SP C18 H22 N6 O3 S c1cc(ccc1N....
51 1QMZ - HIS HIS ALA SER PRO ARG LYS n/a n/a
52 4EOM - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
53 2CJM - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
54 3QHW - PRO LYS THR PRO LYS LYS ALA LYS LYS LEU n/a n/a
55 3TNW - F18 C9 H10 N6 O c1cc(ccc1/....
56 4CFW ic50 = 0.51 uM SQ9 C19 H24 N6 O3 S Cc1c(cccc1....
50% Homology Family (56)
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 6GUC Kd = 25 nM SU9 C13 H11 N3 O2 COc1ccc2c(....
22 3BHT ic50 = 0.011 uM MFR C12 H11 N5 O COc1ccnc2c....
23 2IW8 ic50 = 103 nM 4SP C18 H22 N6 O3 S c1cc(ccc1N....
24 4BCO Ki = 0.131 uM T6Q C23 H26 N8 O S Cc1c(sc(n1....
25 2UUE ic50 = 1.3 uM ARG LEU ILE PFF NH2 GVC n/a n/a
26 1FIN - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
27 4EOI - 1RO C18 H13 N3 O S2 c1cc2cc(cc....
28 4II5 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
29 1VYW ic50 = 37 nM 292 C18 H17 N3 O c1ccc2cc(c....
30 2UZL ic50 = 0.61 uM C94 C15 H10 F3 N3 O4 S2 [H]/N=C/1N....
31 1H24 Kd = 0.5 uM PRO VAL LYS ARG ARG LEU ASP LEU GLU n/a n/a
32 1H1Q ic50 = 1 uM 2A6 C18 H21 N5 O c1ccc(cc1)....
33 3DDQ ic50 ~ 28 uM RRC C19 H26 N6 O CC[C@H](CO....
34 2WEV ic50 = 30 uM ACE ARG ARG B3L MEA NH2 n/a n/a
35 1OIY ic50 ~ 64 nM N41 C19 H22 N6 O2 c1cc(ccc1C....
36 4I3Z Kd = 51.3 mM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
37 4EOP - 1RO C18 H13 N3 O S2 c1cc2cc(cc....
38 2C5O ic50 = 6.5 uM CK2 C9 H10 N4 S Cc1c(sc(n1....
39 2WIH ic50 = 0.045 uM P48 C25 H32 N8 O CC1(Cc2cnc....
40 2IW9 ic50 = 8.9 nM 4SP C18 H22 N6 O3 S c1cc(ccc1N....
41 4EOO - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
42 2BPM ic50 = 2 nM 529 C18 H19 N5 O2 C[C@@H](c1....
43 1H1S Ki = 6 nM 4SP C18 H22 N6 O3 S c1cc(ccc1N....
44 2C5N ic50 = 0.22 uM CK8 C17 H19 N5 S Cc1c(sc(n1....
45 4BCP Ki = 568 nM T3C C21 H24 N8 S Cc1c(sc(n1....
46 3F5X ic50 = 1040 nM EZV C25 H25 N7 CN1CCN(CC1....
47 3QHR - PRO LYS THR PRO LYS LYS ALA LYS LYS LEU n/a n/a
48 4BCK Ki = 0.004 uM T3E C16 H15 N7 O2 S2 Cc1c(sc(n1....
49 1H1P Ki = 12 uM CMG C12 H17 N5 O c1[nH]c2c(....
50 4EOR Ki = 500 nM 4SP C18 H22 N6 O3 S c1cc(ccc1N....
51 1QMZ - HIS HIS ALA SER PRO ARG LYS n/a n/a
52 4EOM - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
53 2CJM - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
54 3QHW - PRO LYS THR PRO LYS LYS ALA LYS LYS LEU n/a n/a
55 3TNW - F18 C9 H10 N6 O c1cc(ccc1/....
56 4CFW ic50 = 0.51 uM SQ9 C19 H24 N6 O3 S Cc1c(cccc1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ADP; Similar ligands found: 452
No: Ligand ECFP6 Tc MDL keys Tc
1 ADP 1 1
2 HEJ 0.9 1
3 ATP 0.9 1
4 A2D 0.895522 0.971831
5 5FA 0.887324 1
6 AQP 0.887324 1
7 AP5 0.884058 0.971831
8 B4P 0.884058 0.971831
9 BA3 0.869565 0.971831
10 AN2 0.84507 0.985915
11 AT4 0.84507 0.958904
12 M33 0.833333 0.958333
13 ACQ 0.826667 0.972222
14 A 0.823529 0.971429
15 AMP 0.823529 0.971429
16 ACP 0.821918 0.972222
17 6YZ 0.818182 0.972222
18 APR 0.810811 0.971831
19 AR6 0.810811 0.971831
20 ANP 0.802632 0.972222
21 SAP 0.8 0.945946
22 AGS 0.8 0.945946
23 AD9 0.8 0.972222
24 ADX 0.783784 0.873418
25 CA0 0.783784 0.945205
26 TAT 0.779221 0.958904
27 T99 0.779221 0.958904
28 50T 0.773333 0.958333
29 ABM 0.763889 0.917808
30 APC 0.763158 0.958904
31 PRX 0.763158 0.893333
32 ATF 0.759494 0.958904
33 A22 0.753086 0.985915
34 AP2 0.743243 0.958904
35 A12 0.743243 0.958904
36 SRA 0.736111 0.918919
37 ADQ 0.73494 0.945205
38 25L 0.732558 0.985915
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 A3R 0.714286 0.907895
44 ATR 0.708861 0.971429
45 ADP PO3 0.708861 0.943662
46 PAP 0.708861 0.985714
47 SRP 0.707317 0.906667
48 7D3 0.706667 0.905405
49 25A 0.702381 0.971831
50 9X8 0.697674 0.92
51 OAD 0.697674 0.945205
52 RBY 0.6875 0.932432
53 ADV 0.6875 0.932432
54 00A 0.686047 0.883117
55 OOB 0.682353 0.931507
56 5SV 0.682353 0.848101
57 8QN 0.682353 0.931507
58 3OD 0.681818 0.945205
59 BIS 0.681818 0.933333
60 ALF ADP 0.674699 0.87013
61 ADP ALF 0.674699 0.87013
62 AMO 0.674419 0.932432
63 4AD 0.674419 0.92
64 PAJ 0.674419 0.884615
65 GAP 0.670732 0.893333
66 MAP 0.670588 0.945946
67 AHX 0.666667 0.896104
68 VO4 ADP 0.666667 0.931507
69 DLL 0.666667 0.931507
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 LMS 0.653333 0.82716
75 LAD 0.651685 0.860759
76 WAQ 0.651685 0.883117
77 B5V 0.651685 0.906667
78 PR8 0.651685 0.85
79 ITT 0.65 0.943662
80 7D4 0.65 0.905405
81 G5P 0.648936 0.921053
82 XYA 0.647059 0.84507
83 ADN 0.647059 0.84507
84 RAB 0.647059 0.84507
85 1ZZ 0.644444 0.839506
86 ME8 0.644444 0.839506
87 FYA 0.644444 0.905405
88 NB8 0.644444 0.896104
89 TXA 0.644444 0.932432
90 6AD 0.642857 0.909091
91 ADP BMA 0.640449 0.918919
92 G3A 0.638298 0.921053
93 DAL AMP 0.632184 0.905405
94 AFH 0.631579 0.884615
95 9SN 0.630435 0.871795
96 9ZA 0.625 0.907895
97 DQV 0.625 0.958333
98 9ZD 0.625 0.907895
99 GTA 0.625 0.886076
100 YAP 0.623656 0.894737
101 B5M 0.623656 0.894737
102 FA5 0.623656 0.906667
103 B5Y 0.623656 0.894737
104 UP5 0.622449 0.92
105 HFD 0.619048 0.945946
106 XAH 0.617021 0.839506
107 AV2 0.616279 0.917808
108 AOC 0.615385 0.821918
109 48N 0.612245 0.896104
110 4UV 0.610526 0.894737
111 6V0 0.606061 0.896104
112 NAI 0.606061 0.907895
113 DND 0.606061 0.932432
114 NAX 0.606061 0.873418
115 NXX 0.606061 0.932432
116 TXD 0.606061 0.907895
117 5N5 0.605634 0.819444
118 5AS 0.604938 0.77907
119 A4P 0.60396 0.843373
120 DAT 0.60241 0.905405
121 A2R 0.602273 0.985915
122 TXE 0.6 0.907895
123 OMR 0.6 0.851852
124 4UU 0.597938 0.894737
125 GA7 0.597938 0.906667
126 A A 0.597826 0.944444
127 A4D 0.597222 0.819444
128 5CD 0.597222 0.805556
129 AP0 0.594059 0.896104
130 4TC 0.594059 0.896104
131 A3P 0.592593 0.971429
132 T5A 0.592233 0.841463
133 139 0.592233 0.873418
134 7D5 0.592105 0.878378
135 ATP A A A 0.589474 0.930556
136 LAQ 0.585859 0.839506
137 MYR AMP 0.585106 0.817073
138 F2R 0.580952 0.864198
139 YLP 0.58 0.819277
140 UPA 0.578431 0.907895
141 7DD 0.578313 0.985714
142 3AM 0.576923 0.929577
143 ADJ 0.576923 0.851852
144 COD 0.575472 0.811765
145 NAD 0.575472 0.931507
146 3AT 0.574713 0.971831
147 JB6 0.574468 0.883117
148 4UW 0.574257 0.860759
149 EP4 0.573333 0.753247
150 A2P 0.573171 0.957143
151 CNA 0.571429 0.932432
152 TYM 0.568627 0.906667
153 PPS 0.568182 0.873418
154 DTA 0.565789 0.786667
155 M2T 0.565789 0.734177
156 AR6 AR6 0.565657 0.917808
157 A3D 0.564815 0.918919
158 80F 0.564815 0.841463
159 3DH 0.564103 0.773333
160 G5A 0.563218 0.77907
161 YLB 0.563107 0.819277
162 YLC 0.563107 0.839506
163 AMP DBH 0.561224 0.893333
164 TYR AMP 0.561224 0.87013
165 MTA 0.558442 0.773333
166 DTP 0.556818 0.905405
167 AHZ 0.554455 0.817073
168 NA7 0.553191 0.958904
169 IOT 0.552381 0.831325
170 ZAS 0.55 0.766234
171 7MD 0.55 0.8625
172 ARG AMP 0.55 0.829268
173 IMO 0.548781 0.929577
174 YLA 0.54717 0.819277
175 NAE 0.544643 0.894737
176 TAD 0.544554 0.884615
177 A5A 0.544444 0.807229
178 2AM 0.544304 0.943662
179 TSB 0.543478 0.819277
180 6RE 0.54321 0.759494
181 AYB 0.542056 0.809524
182 NAQ 0.539823 0.871795
183 V3L 0.539326 0.971831
184 SSA 0.538462 0.8
185 AF3 ADP 3PG 0.538462 0.8375
186 ZID 0.535088 0.918919
187 LPA AMP 0.533981 0.817073
188 52H 0.532609 0.77907
189 VMS 0.532609 0.788235
190 54H 0.532609 0.788235
191 BTX 0.53211 0.841463
192 A3N 0.53012 0.786667
193 J7C 0.53012 0.769231
194 5X8 0.528736 0.763158
195 BT5 0.527273 0.831325
196 8X1 0.526882 0.752809
197 5CA 0.526882 0.8
198 53H 0.526882 0.77907
199 ARU 0.526316 0.860759
200 EAD 0.525862 0.873418
201 RGT 0.525253 0.958904
202 OVE 0.52439 0.905405
203 S4M 0.52381 0.666667
204 7DT 0.522727 0.985714
205 GDP 0.522222 0.92
206 DDS 0.522222 0.878378
207 AVV 0.521277 0.896104
208 NDE 0.521008 0.932432
209 7MC 0.518868 0.841463
210 DSH 0.518072 0.725
211 MAO 0.517647 0.759036
212 NSS 0.515789 0.8
213 DSZ 0.515789 0.8
214 LSS 0.515789 0.761364
215 P5A 0.515464 0.744444
216 DZD 0.513514 0.884615
217 NVA LMS 0.510417 0.752809
218 9K8 0.510204 0.714286
219 12D 0.509615 0.785714
220 M24 0.508772 0.85
221 YLY 0.508772 0.809524
222 P1H 0.508333 0.851852
223 5AD 0.506849 0.746479
224 GJV 0.505882 0.75
225 LEU LMS 0.505155 0.752809
226 AMP NAD 0.504505 0.905405
227 4TA 0.504505 0.807229
228 G A A A 0.504505 0.871795
229 NAJ PZO 0.504425 0.848101
230 GSU 0.5 0.77907
231 128 0.5 0.776471
232 KAA 0.5 0.752809
233 71V 0.5 0.907895
234 A3G 0.5 0.8
235 NDC 0.5 0.871795
236 7D7 0.5 0.743243
237 N0B 0.495726 0.819277
238 NJP 0.495495 0.945946
239 ODP 0.495495 0.909091
240 2SA 0.494624 0.932432
241 6C6 0.494505 0.881579
242 SFG 0.494382 0.75
243 0WD 0.491071 0.921053
244 YSA 0.490196 0.77907
245 PO4 PO4 A A A A PO4 0.489796 0.902778
246 SAM 0.48913 0.690476
247 6IA 0.48913 0.8375
248 A7D 0.488636 0.776316
249 6FA 0.488 0.841463
250 FB0 0.487805 0.804598
251 NAJ PYZ 0.487179 0.807229
252 A5D 0.483516 0.786667
253 IDP 0.483516 0.918919
254 SA8 0.483516 0.707317
255 PGS 0.483146 0.883117
256 MHZ 0.483146 0.697674
257 DA 0.482353 0.878378
258 D5M 0.482353 0.878378
259 NEC 0.482353 0.746667
260 NIA 0.481928 0.822785
261 Y3J 0.480519 0.726027
262 8PZ 0.480392 0.8
263 FAD 0.480315 0.851852
264 FAS 0.480315 0.851852
265 FDA 0.48 0.833333
266 N6P 0.479592 0.915493
267 GGZ 0.479167 0.825
268 U A 0.478261 0.907895
269 SAH 0.478261 0.74359
270 SAI 0.478261 0.734177
271 A G 0.477876 0.883117
272 NPW 0.477477 0.886076
273 NDP 0.477477 0.921053
274 AAM 0.476744 0.971429
275 C2R 0.47561 0.90411
276 AMZ 0.47561 0.916667
277 A A A 0.474747 0.905405
278 GTP 0.473684 0.92
279 U A G G 0.473684 0.883117
280 SMM 0.473684 0.686047
281 NZQ 0.473214 0.909091
282 TXP 0.473214 0.921053
283 A3S 0.47191 0.810811
284 SFD 0.46875 0.734043
285 AIR 0.468354 0.901408
286 AAT 0.468085 0.707317
287 EEM 0.468085 0.690476
288 J7V 0.466667 0.833333
289 Z5A 0.466667 0.77907
290 7C5 0.466667 0.818182
291 62F 0.465649 0.8625
292 HDV 0.463158 0.893333
293 FAY 0.462121 0.8625
294 A3T 0.461538 0.821918
295 ETB 0.461538 0.833333
296 DCA 0.461538 0.823529
297 A6D 0.46 0.722892
298 A U 0.459459 0.87013
299 GEK 0.459184 0.7375
300 6K6 0.459184 0.930556
301 RFL 0.458647 0.821429
302 NAP 0.458333 0.945205
303 S7M 0.458333 0.690476
304 4YB 0.457944 0.761364
305 WSA 0.454545 0.788235
306 TAP 0.454545 0.907895
307 FNK 0.454545 0.804598
308 COA 0.453782 0.823529
309 0T1 0.453782 0.823529
310 101 0.453488 0.878378
311 XNP 0.452174 0.873418
312 NA0 0.45082 0.932432
313 7RP 0.448276 0.928571
314 GP3 0.446809 0.921053
315 TM1 0.446602 0.77381
316 APU 0.446429 0.894737
317 PUA 0.445378 0.884615
318 V1N 0.443396 0.917808
319 7RA 0.443182 0.957747
320 COS 0.442623 0.804598
321 AMX 0.442623 0.833333
322 30N 0.442623 0.752688
323 CAO 0.442623 0.795455
324 QQY 0.44186 0.815789
325 ACK 0.44186 0.861111
326 649 0.441441 0.744444
327 0UM 0.44 0.698795
328 NHD 0.439655 0.905405
329 CMX 0.439024 0.823529
330 SCO 0.439024 0.823529
331 GCP 0.438776 0.896104
332 8BR 0.438202 0.906667
333 GNH 0.4375 0.907895
334 8Q2 0.4375 0.772727
335 3AD 0.4375 0.805556
336 NVA 2AD 0.43617 0.759494
337 62X 0.435644 0.666667
338 FCX 0.435484 0.795455
339 ACO 0.435484 0.795455
340 FAM 0.435484 0.804598
341 9JJ 0.434783 0.8625
342 GNP 0.434343 0.896104
343 9GM 0.434343 0.896104
344 NMX 0.433071 0.76087
345 MGP 0.43299 0.884615
346 26A 0.432099 0.763158
347 HAX 0.432 0.804598
348 K15 0.431373 0.682353
349 DG1 0.430894 0.921053
350 1DG 0.430894 0.921053
351 QQX 0.430233 0.805195
352 2VA 0.430108 0.8
353 S8M 0.43 0.759494
354 2MC 0.429688 0.769231
355 6G0 0.428571 0.884615
356 P5F 0.428571 0.823529
357 FYN 0.428571 0.823529
358 3KK 0.428571 0.804598
359 A C A C 0.428571 0.848101
360 7L1 0.427419 0.795455
361 FAI 0.426966 0.916667
362 RMB 0.426966 0.873239
363 AS 0.426966 0.833333
364 1RB 0.425287 0.885714
365 CA6 0.425197 0.729167
366 SOP 0.425197 0.804598
367 OXK 0.425197 0.804598
368 MCD 0.425197 0.804598
369 COK 0.425197 0.804598
370 G1R 0.424242 0.907895
371 SXZ 0.423077 0.710843
372 CC5 0.423077 0.816901
373 F2N 0.422535 0.813953
374 EO7 0.422222 0.788235
375 ANZ 0.422018 0.8
376 1VU 0.421875 0.795455
377 CMC 0.421875 0.804598
378 CO6 0.421875 0.804598
379 ZDA 0.421053 0.864865
380 GKE 0.420561 0.884615
381 GDC 0.420561 0.884615
382 GDD 0.420561 0.884615
383 NFD 0.420168 0.883117
384 GSP 0.42 0.873418
385 D3Y 0.42 0.789474
386 MC4 0.419847 0.76087
387 3D1 0.419753 0.773333
388 3L1 0.419753 0.773333
389 FA9 0.41958 0.864198
390 5GP 0.419355 0.906667
391 G 0.419355 0.906667
392 KB1 0.419048 0.698795
393 CAJ 0.418605 0.804598
394 SCD 0.418605 0.823529
395 CMP 0.417582 0.901408
396 2BA 0.417582 0.915493
397 SO8 0.416667 0.789474
398 VRT 0.416667 0.769231
399 N01 0.416667 0.905405
400 IVC 0.415385 0.813953
401 1HE 0.415385 0.786517
402 A1S 0.415385 0.804598
403 BCO 0.415385 0.804598
404 3HC 0.415385 0.813953
405 MLC 0.415385 0.804598
406 NMN AMP PO4 0.415254 0.87013
407 2FA 0.414634 0.813333
408 MGO 0.414141 0.860759
409 3NZ 0.413462 0.782051
410 COO 0.412214 0.804598
411 MCA 0.412214 0.795455
412 YE1 0.412214 0.813953
413 CAA 0.412214 0.813953
414 GAV 0.411765 0.884615
415 PRT 0.411215 0.931507
416 JLN 0.411111 0.890411
417 P2P 0.411111 0.902778
418 ZZB 0.410256 0.77381
419 SP1 0.409091 0.842105
420 RP1 0.409091 0.842105
421 2CP 0.409091 0.795455
422 SCA 0.409091 0.804598
423 103 0.409091 0.837838
424 PAX 0.408 0.829268
425 FAD NBT 0.407143 0.75
426 COW 0.406015 0.795455
427 3CP 0.406015 0.804598
428 IRC 0.406015 0.813953
429 BYC 0.406015 0.804598
430 CA8 0.406015 0.729167
431 1GZ 0.406015 0.795455
432 COF 0.406015 0.786517
433 HGG 0.406015 0.804598
434 2KQ 0.406015 0.786517
435 G2P 0.405941 0.884615
436 SLU 0.404959 0.770115
437 U A C C 0.404959 0.858974
438 RBZ 0.404494 0.849315
439 1CZ 0.404412 0.795455
440 FAQ 0.402985 0.804598
441 BCA 0.402985 0.795455
442 4CA 0.402985 0.795455
443 MTP 0.402439 0.730769
444 8OD 0.402062 0.945205
445 CO7 0.401515 0.804598
446 GRA 0.4 0.804598
447 G2R 0.4 0.884615
448 ENQ 0.4 0.916667
449 CNV FAD 0.4 0.8
450 GMV 0.4 0.896104
451 HXC 0.4 0.786517
452 HF7 0.4 0.893333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2BPM; Ligand: 529; Similar sites found with APoc: 482
This union binding pocket(no: 1) in the query (biounit: 2bpm.bio1) has 47 residues
No: Leader PDB Ligand Sequence Similarity
1 2HO2 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU None
2 1SWG BTN 2.34375
3 1Q8A HCS 2.589
4 3BOF HCS 2.589
5 3TTM PUT 2.589
6 3AKK ADP 2.64151
7 5A96 GTP 2.81124
8 3PN1 IVH 3.01887
9 5GZ9 ANP 3.01887
10 3DNT ATP 3.01887
11 5OLK DTP 3.01887
12 3TPV ADE 3.01887
13 3I9U DTU 3.04183
14 4ZGP ADP 3.07167
15 5COU ATP 3.23625
16 1JS8 MAN MAN BMA 3.23625
17 3PNA CMP 3.24675
18 4GYI ADP 3.39623
19 2VPQ ANP 3.39623
20 2B6N ALA PRO THR 3.39623
21 3BP1 GUN 3.44828
22 1NE7 AGP 3.46021
23 3W9F I3P 3.46154
24 2YRX AMP 3.55987
25 3PDT ADP 3.77358
26 1F52 ADP 3.77358
27 2GH9 MLR 3.77358
28 5JBE MAL 3.8835
29 2W5P CL8 4.02685
30 4O4F ATP 4.03226
31 4O4F IHP 4.03226
32 5WKR NAR 4.03587
33 1Y60 H4M 4.14201
34 2CFM AMP 4.15094
35 2IF8 ADP 4.15094
36 4U98 ACP 4.15094
37 3ORQ ADP 4.15094
38 2YW2 ATP 4.15094
39 5NM7 GLY 4.15094
40 2BMB PMM 4.15094
41 1NBU PH2 4.20168
42 6DW2 HD4 4.31373
43 5IGI GMP 4.31894
44 5IGI ZIT 4.31894
45 1P6O HPY 4.34783
46 2QX0 PH2 4.40252
47 5MRH Q9Z 4.5283
48 2ZWS PLM 4.5283
49 6EAC ANP 4.5283
50 6A5K SAM 4.5283
51 5I35 ANP 4.5283
52 4OUC 5ID 4.53074
53 3UDZ ADP 4.53074
54 2PNC CLU 4.53074
55 6FL8 TIY 4.53074
56 6FL8 ADP 4.53074
57 6G34 5ID 4.53074
58 4OCJ NDG 4.53074
59 2FB3 MET 4.53074
60 2FB3 5AD 4.53074
61 2PYW ADP 4.85437
62 4OCV ANP 4.85437
63 6CFC BLG 4.85437
64 3C8F MT2 4.89796
65 3K5I ADP 4.90566
66 1CBK ROI 5
67 1SU2 ATP 5.03145
68 4C5N ACP 5.07246
69 1BKC INN 5.07812
70 5MW8 ATP 5.28302
71 1OBD ATP 5.28302
72 2V58 LZJ 5.28302
73 3ZO7 K6H 5.31915
74 3TM0 ANP 5.32319
75 3TM0 B31 5.32319
76 3HAV ATP 5.35117
77 2ZL7 FUC GAL NGA 5.42373
78 2YY8 SAM 5.47264
79 2GQR ADP 5.48523
80 2GQS ADP 5.48523
81 2GQS C2R 5.48523
82 1GSA ADP 5.50162
83 1U6R IOM 5.50162
84 1VRP IOM 5.50162
85 3DCJ THH 5.5814
86 5VZ0 ADP 5.66038
87 1CKM GTP 5.66038
88 6EZ6 C5Z 5.66038
89 1CKN GTP 5.66038
90 5AE9 OKO 5.66038
91 4MV1 ADP 5.66038
92 2XG5 EC5 5.78035
93 2XG5 EC2 5.78035
94 1PK8 ATP 5.82524
95 3TII ANP 5.82524
96 6C1S EFV 6.03774
97 1XDN ATP 6.03774
98 1E4E ADP 6.14887
99 5HV7 RBL 6.14887
100 1JBU BEN 6.34921
101 3X01 AMP 6.41509
102 5C1P ADP 6.41509
103 5EQY 5RA 6.41509
104 1NE6 SP1 6.41509
105 5C1P DAL DAL 6.41509
106 3ETH ATP 6.47249
107 5TDF ADP 6.47249
108 4COQ SAN 6.47773
109 4NFE BEN 6.75105
110 3VPD ANP 6.76157
111 1M0W ANP 6.79245
112 1EHI ADP 6.79245
113 4AZW ATP 6.79612
114 5FI4 5XV 6.79612
115 1T36 ADP 6.79612
116 3OJI PYV 6.87831
117 2TPI ILE VAL 6.89655
118 4X5S AZM 6.89655
119 4INI AMP 6.92308
120 1EIX BMQ 6.93878
121 1WDD CAP 7.03125
122 4Z2S NDG 7.04225
123 4Z2S NAG 7.04225
124 2BKK ADP 7.10059
125 1NY5 ADP 7.11974
126 3TY5 ATP 7.16981
127 3TY5 ADP 7.16981
128 5NC1 NAG 7.173
129 5N9Z CAP 7.19424
130 2II3 CAO 7.25191
131 5DG2 GAL GLC 7.40741
132 3HQP OXL 7.44337
133 1IA9 ANP 7.54717
134 5OES ADP 7.54717
135 1I7L ATP 7.54717
136 4OFG PCG 7.63889
137 6FOF LAT 7.65306
138 4LRJ ANP 7.69231
139 4XZ3 ACP 7.82609
140 5ZCT ANP 7.92453
141 4CSD MFU 7.92453
142 3JQ3 ADP 7.92453
143 3NOJ PYR 7.98319
144 1ULE GLA GAL NAG 8
145 4D52 GIV 8.09062
146 4D52 GXL 8.09062
147 4O1P ANP 8.09062
148 4D4U FUC GAL NAG 8.09062
149 4D4U FUC GAL 8.09062
150 4D4U FUC GAL NDG FUC 8.09062
151 3W0O HY0 8.09062
152 3W0O ADP 8.09062
153 3SAO NKN 8.125
154 4FE2 ADP 8.23529
155 4XYM A12 8.26087
156 5V3D FCN 8.27586
157 1U1J MET 8.30189
158 4PU5 ANP 8.41424
159 2Q7D ANP 8.41424
160 3I0O ADP 8.67924
161 1A99 PUT 8.67924
162 4XMF HSM 8.69565
163 1TZD ADP 8.72727
164 1AUX AGS 8.73786
165 2VQD AP2 8.73786
166 2HGS ADP 8.73786
167 1Z2P I3S 8.73786
168 1Z2P ACP 8.73786
169 3TDV GDP 9.0566
170 3KAL ADP 9.0566
171 1IR2 CAP 9.0566
172 1UZH CAP 9.0566
173 2V67 CAP 9.0566
174 2V68 CAP 9.0566
175 2V6A CAP 9.0566
176 5DMZ ADP 9.43396
177 4ZS4 ATP 9.43396
178 1W2D ADP 9.43396
179 3WVR AMP 9.43396
180 5DXT 5H5 9.43396
181 2AQX ATP 9.43396
182 1W2D 4IP 9.43396
183 2R5V HHH 9.43396
184 5FII PHE 9.80392
185 4RDL FUC GAL NDG FUC 9.81132
186 3VPC ADP 9.92908
187 3VPB ADP 9.92908
188 5X7Q GLC GLC GLC GLC GLC 10.0324
189 1NWW HPN 10.0671
190 3V4S ATP 10.1887
191 1ZTH ADP 10.4651
192 1ZP9 ATP 10.4651
193 4Q5H ANP 10.5263
194 3RE4 TO1 10.8527
195 1TQP ATP 10.9929
196 2QK4 ATP 11.0032
197 5DZT AMP 11.3208
198 4YZ5 SLT 11.3208
199 5YK1 ANP 11.6981
200 3VOT ADP 11.6981
201 2IO8 ADP 11.6981
202 1SDW IYT 11.6981
203 6CGD AKN 11.8033
204 6CGD GNP 11.8033
205 1Y2W NAG 11.9718
206 3B6R CRN 12.0755
207 6AC9 ANP 12.2977
208 5CKW ANP 12.2977
209 5YIF 8VR 12.2977
210 4NZN 2OU 12.4528
211 4NZN ANP 12.4528
212 5VGS 9A7 12.7389
213 2C3W GLC GLC GLC GLC 12.7451
214 2DTJ THR 12.9213
215 3AB4 THR 12.9213
216 3SJK LYS PRO VAL LEU ARG THR ALA 13.1579
217 3KIF GDL 13.2075
218 5EO8 TFU 13.2686
219 3NZ1 3NY 13.41
220 4A8T PAO 13.5693
221 5NW7 9C2 13.5922
222 4IAW LIZ 13.8298
223 4R78 AMP 14.2395
224 5VLQ ANP 14.717
225 2YFO GAL 14.8867
226 2YFO GLA 14.8867
227 3VV1 GAL FUC 15
228 5K2M ADP 15.0943
229 2OFE NAG 15.493
230 2PUL ACP 16.5049
231 4UWH JXM 16.9811
232 4WW7 AMP 17.1123
233 4DFU QUE 18.0124
234 4OAV ACP 18.123
235 5C4L SIS 18.3801
236 5C4L 4XR 18.3801
237 3ZW2 NAG GAL FUC 18.3908
238 3ZW0 FUC 18.3908
239 3ZJX BOG 18.4906
240 1NU4 MLA 18.5567
241 6F7X MFU 18.8889
242 5LXT ACP 19.5804
243 5M06 ADP 19.9275
244 3H2B SAH 20.197
245 4K39 SAM 20.3774
246 2FUE M1P 20.9924
247 6FS8 E4Z 21.4634
248 4CYI ATP 21.6828
249 6BFN DL1 22.0065
250 3LQV ADE 23.0769
251 5VC5 96M 23.1834
252 3Q60 ATP 23.301
253 4BTK DTQ 23.6246
254 5OKT 9XK 24.5955
255 4NFN 2KC 24.5955
256 6GZD LCI 24.9191
257 3VHE 42Q 25.2427
258 5KO1 6UY 25.7951
259 4KBA 1QM 25.89
260 5W4W 9WG 25.89
261 3KIV ACA 26.5823
262 4XH0 ADP 27.8317
263 5QIN J2V 29.1262
264 4IX4 ADP 29.1262
265 2CSN CKI 29.2929
266 3H9R TAK 29.4498
267 4Y0X ADP 29.6
268 4EUU BX7 30.0971
269 4IDT T28 30.0971
270 6GIN IR2 30.2326
271 4FL3 ANP 30.4207
272 3KRL KRL 30.4207
273 3PP0 03Q 30.7443
274 5HCY 60D 31.3916
275 5T8O 76Z 31.3916
276 3DLS ADP 31.7152
277 5JFS 6K0 31.8182
278 6ES0 BW8 32.0388
279 4UAL 3FV 32.0388
280 3UIM ANP 32.0388
281 4YMJ 4EJ 32.2368
282 5CEO 50D 32.3333
283 6BXI ANP 32.3625
284 4CLI 5P8 32.3625
285 4Y8D 49J 32.3625
286 5UIU 8CG 32.6861
287 3FC2 IBI 32.6861
288 2OO8 RAJ 32.6861
289 5TA6 79D 32.6861
290 2R5T ANP 32.6861
291 4U44 3D9 32.6861
292 2F2U M77 33.0097
293 4P5Z Q7M 33.0097
294 6C0T EE4 33.0097
295 5LPZ ADP 33.0097
296 4OH4 ANP 33.0097
297 2X2M X2M 33.0097
298 1U59 STU 33.101
299 3KMW ATP 33.2103
300 3NW7 LGV 33.2248
301 1JPA ANP 33.3333
302 4FF8 14S 33.3333
303 4E93 GUI 33.3333
304 3LXK MI1 33.3333
305 4Y93 746 33.3333
306 3LXN MI1 33.3333
307 5Y80 IRE 33.3333
308 1U5R ATP 33.657
309 2QLU ADE 33.657
310 3TKI S25 33.657
311 2HY0 306 33.657
312 5NKB 8ZT 33.6601
313 1VJY 460 33.6634
314 5AX9 4KT 33.7662
315 2XVD AS6 33.7748
316 4AT3 LTI 33.7793
317 5HES 032 33.8762
318 5WNL STU 33.9806
319 4GJ3 0XP 34.106
320 1K3A ACP 34.1137
321 4YZN 4K5 34.1463
322 6F3G CJN 34.2373
323 5U6C 7YS 34.3042
324 5WO4 B7V 34.4371
325 5LPB ADP 34.4595
326 3C1X CKK 34.6278
327 5EOB 5QQ 34.6278
328 5MJA 7O3 34.7541
329 3EKK GS2 34.8534
330 3BU5 ATP 34.9673
331 1IR3 ANP 34.9673
332 4I94 ANP 35
333 2Y6O 1N1 35.0515
334 4X7Q 3YR 35.2564
335 5HVJ ANP 35.2751
336 4G17 0VN 35.2751
337 3V8S 0HD 35.2751
338 5TO8 7FM 35.461
339 4F4P 0SB 35.5311
340 4QMN DB8 35.5987
341 2WQN ADP 35.5987
342 3FHI ANP 35.5987
343 1RE8 BD2 35.5987
344 2GU8 796 35.5987
345 3IDB ANP 35.5987
346 2QCS ANP 35.5987
347 4E1Z 0MX 35.7388
348 3CY2 MB9 35.9223
349 4N70 2HX 35.9223
350 2PZI AXX 35.9223
351 4WB7 ATP 35.9223
352 1ZY5 ANP 35.9736
353 3PLS ANP 36.2416
354 4K33 ACP 36.246
355 4WB6 ATP 36.246
356 4U0I 0LI 36.246
357 6C7Y ADP 36.3636
358 3RI1 3RH 36.5696
359 1Y57 MPZ 36.5696
360 2PVF ACP 36.5696
361 2H8H H8H 36.5696
362 5USZ SKE 36.6782
363 3SLS ANP 36.8421
364 6E2B PT7 36.8421
365 5JKG 6LF 36.8932
366 1OPK P16 36.8932
367 4EWH T77 37.0909
368 1BYG STU 37.4101
369 5MY8 RXZ 37.5405
370 5LI1 ANP 37.5405
371 4A4X JUP 37.6344
372 4OTH DRN 37.8641
373 3FHR P4O 38.1877
374 4Y85 499 38.1877
375 5UR1 YY9 38.1877
376 4WOV 3SM 38.1877
377 3GNI ATP 38.1877
378 3GQI ACP 38.1877
379 2A19 ANP 38.3803
380 6CQF F97 38.3838
381 3E8N VRA 38.5113
382 3E8N ATP 38.5113
383 2Z7R STU 38.835
384 4AG8 AXI 38.835
385 3ORK AGS 38.835
386 4ASE AV9 38.835
387 3SRV S19 38.9892
388 4RFM 3P6 39.0977
389 5FBN 5WF 39.1144
390 3M2W L8I 39.1304
391 4NW6 2NS 39.1586
392 4UXL 5P8 39.1586
393 4I6H 1C8 39.2857
394 6GQM F8H 39.4822
395 3G5D 1N1 39.5105
396 5H2U 1N1 39.7004
397 4G31 0WH 39.7993
398 5C03 AGS 39.8058
399 5VCV 1N1 39.8058
400 6CZ3 FLJ 40.1515
401 4WNP 3RJ 40.4181
402 4L9I 8PR 40.4531
403 4PNI KQQ 40.4531
404 4XV1 904 40.7534
405 5N87 N66 41.1003
406 4M69 ANP 41.2141
407 3BZ3 YAM 41.3043
408 3HMO STU 41.4239
409 3VRY B43 41.4239
410 3ALN ANP 41.7476
411 4BHN BH9 41.7476
412 4YZC STU 41.7476
413 4TWP AXI 42.0664
414 5IH9 6BF 42.0712
415 3RWP ABQ 42.3948
416 6GWR FEW 42.3948
417 6E2O S0L 42.7119
418 5LVP ATP 42.7184
419 3KN5 ANP 42.7184
420 4CQE CQE 42.8058
421 2OFV 242 42.9603
422 4JR7 GNP 43.0421
423 2V7O DRN 43.0421
424 2VZ6 FEF 43.3657
425 1P0Z FLC 43.5115
426 2WEL K88 43.6893
427 4DC2 ADE 43.6893
428 5DBX ANP 43.6893
429 5UKL SIX 43.6893
430 3MVH WFE 43.6893
431 3PVW QRX 43.6893
432 4BFM ANP 43.6893
433 5LI9 ACP 43.6893
434 4FG8 ATP 43.6893
435 5UPK ANP 43.6893
436 5JZJ AN2 44.1077
437 4WNK 453 44.3366
438 4CSV STI 44.3636
439 2F57 23D 44.6602
440 2XK9 XK9 44.6602
441 2VN9 GVD 44.8505
442 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 44.9838
443 2JDR L20 44.9838
444 1XJD STU 44.9838
445 4F9C 0SX 45.6311
446 6FYV 3NG 45.9547
447 5XVG 8FX 46.0751
448 5DRB 5FJ 46.3918
449 3GGF GVD 46.5116
450 1Q8Y ADE 46.6019
451 1Q8Y ADP 46.6019
452 2J7T 274 46.6887
453 3AQV TAK 46.7391
454 3DAK ANP 46.8966
455 4KS7 X4Z 46.9178
456 3C0G 3AM 46.9256
457 6FYL 3NG 46.9256
458 1PHK ATP 46.9799
459 6CMJ F6J 47.2492
460 5EH0 5NW 47.2868
461 4L3L 5FI 47.3684
462 2HK5 1BM 47.4074
463 6G33 5ID 47.5728
464 5X8I SQZ 47.5728
465 3IGO ANP 47.5728
466 4ONA UW1 47.5728
467 2WU6 DKI 47.8964
468 5JGA 6KC 47.8964
469 4IJP 1EH 48.2201
470 2YAB AMP 48.2201
471 3HZT J60 48.2201
472 3SXS PP2 48.5075
473 5DH3 5BS 48.5437
474 4USF 6UI 48.6842
475 6A1G 9OL 48.8673
476 3TXO 07U 48.8673
477 5DEY 59T 49.1582
478 5YF9 NIO 49.1909
479 2ZV2 609 49.3289
480 4C2V YJA 49.4737
481 2YAK OSV 49.8246
482 3PE2 E1B 49.8382
Pocket No.: 2; Query (leader) PDB : 2BPM; Ligand: 529; Similar sites found with APoc: 53
This union binding pocket(no: 2) in the query (biounit: 2bpm.bio2) has 53 residues
No: Leader PDB Ligand Sequence Similarity
1 2FCU AKG 2.64151
2 4KVL PLM 2.64151
3 1EB1 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 2.72374
4 1OPB RET 2.98507
5 5WS9 OXL 3.01887
6 5IH1 GDP 3.01887
7 3OF1 CMP 3.25203
8 1ZNY GDP 3.38164
9 2G50 PYR 3.39623
10 2PA7 TYD 3.5461
11 3W6G FLC 3.7037
12 1DKU AP2 3.77358
13 2VDY HCY 3.77358
14 4RW3 TDA 4.15094
15 3E7S AT2 4.20712
16 2PIE GLU LEU LYS TPO GLU ARG TYR 4.34783
17 6HDT BTN 4.51128
18 5IM3 DTP 4.5283
19 5Y02 HBX 4.6729
20 4QYN RTL 5.26316
21 1PS6 4TP 5.82524
22 6BU0 IHP 6.10687
23 4UWM FMN 6.41509
24 1S68 AMP 6.82731
25 1XV5 UDP 7.11974
26 1SZ0 M6P 7.16981
27 5OYA CAP 7.19424
28 1VDN ACE ALA ALA PRO ALA MCM 7.40741
29 1W6P NDG GAL 7.46269
30 5DZ2 212 7.54717
31 4FE2 AIR 8.23529
32 1F5F DHT 8.29268
33 3SHR CMP 8.3612
34 1Q19 SSC 8.41424
35 4USI AKG 8.44156
36 1MJT ITU 9.0566
37 4MAF ADX 9.06149
38 3NV3 GAL NAG MAN 9.42029
39 1EB9 HBA 9.54198
40 1VKF CIT 9.57447
41 4CC6 L5Y 9.74843
42 2HKA C3S 10.7692
43 3T2W BTN 11.4754
44 1IHU AF3 11.6505
45 4WVW SLT 11.8056
46 5T96 79J 12.0755
47 6CA4 MLI 12.4
48 4KU7 PCG 15.6863
49 5JAX 6J7 17.7778
50 4PL9 ADP 18.0328
51 3ZW2 GLA NAG GAL FUC 18.3908
52 1FWV SGA MAG FUC 18.6567
53 3SLS 77D 36.8421
APoc FAQ
Feedback