Receptor
PDB id Resolution Class Description Source Keywords
1TMN 1.9 Å EC: 3.4.24.27 BINDING OF N-CARBOXYMETHYL DIPEPTIDE INHIBITORS TO THERMOLYS DETERMINED BY X-RAY CRYSTALLOGRAPHY. A NOVEL CLASS OF TRANSS TATE ANALOGUES FOR ZINC PEPTIDASES BACILLUS THERMOPROTEOLYTICUS METALLOPROTEINASE HYDROLASE-HYDROLASE INHIBITOR COMPLEX
Ref.: BINDING OF N-CARBOXYMETHYL DIPEPTIDE INHIBITORS TO THERMOLYSIN DETERMINED BY X-RAY CRYSTALLOGRAPHY: A CLASS OF TRANSITION-STATE ANALOGUES FOR ZINC PEPTID BIOCHEMISTRY V. 23 5724 1984
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
0ZN E:317;
Valid;
none;
Ki = 50 nM
479.568 C27 H33 N3 O5 CC(C)...
CA E:318;
E:319;
E:320;
E:321;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
ZN E:322;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4TMN 1.7 Å EC: 3.4.24.27 SLOW-AND FAST-BINDING INHIBITORS OF THERMOLYSIN DISPLAY DIFF MODES OF BINDING. CRYSTALLOGRAPHIC ANALYSIS OF EXTENDED P HOSPHONAMIDATE TRANSITION-STATE ANALOGUES BACILLUS THERMOPROTEOLYTICUS HYDROLASE-HYDROLASE INHIBITOR COMPLEX METALLOPROTEINASE
Ref.: SLOW- AND FAST-BINDING INHIBITORS OF THERMOLYSIN DI DIFFERENT MODES OF BINDING: CRYSTALLOGRAPHIC ANALYS EXTENDED PHOSPHONAMIDATE TRANSITION-STATE ANALOGUES BIOCHEMISTRY V. 26 8542 1987
Members (86)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1LNC - VAL LYS n/a n/a
2 4MXJ - 2G8 C18 H30 N3 O5 P CCCNC(=O)[....
3 5JT9 Kd = 0.233 uM 7AF C21 H36 N3 O5 P C[C@H](CNC....
4 2TMN Ki = 1.3 uM 0FA C6 H15 N2 O4 P CC(C)C[C@@....
5 5LIF Kd = 1.34 uM 6XO C24 H38 N3 O7 P CC(C)C[C@@....
6 1GXW - VAL LYS n/a n/a
7 1PE8 - BR5 LEU LEN n/a n/a
8 5N31 - 8LB C21 H35 N4 O7 P CC(C)C[C@@....
9 5N2X - 8KN C20 H33 N4 O7 P CC(C)C[C@@....
10 1LNE - VAL LYS n/a n/a
11 1Y3G Ki = 40 nM 3PL AMM LEU n/a n/a
12 1HYT - BZS C11 H12 O4 c1ccc(cc1)....
13 1LNB - VAL LYS n/a n/a
14 3MSA - B3R C6 H5 Br O c1cc(cc(c1....
15 5L41 Kd = 0.31 uM 6QC C21 H36 N3 O5 P C[C@@H](CN....
16 5WR2 - NX6 C12 H13 N O6 c1ccc(cc1)....
17 1KKK - PHQ ASP n/a n/a
18 5WR5 - NX6 C12 H13 N O6 c1ccc(cc1)....
19 1KR6 - PHQ DGL n/a n/a
20 2TLX - VAL LYS n/a n/a
21 1PE5 - BR3 LEU LEN n/a n/a
22 4N4E - 2G6 C21 H36 N3 O5 P CC(C)C[C@@....
23 5N34 - 8JQ C17 H29 N4 O5 P CC(C)C[C@@....
24 1LNA - VAL LYS n/a n/a
25 3ZI6 - VAL LYS n/a n/a
26 4TMN Ki = 0.068 nM 0PK C25 H34 N3 O7 P NULL
27 5TMN Ki = 9.1 nM 0PJ C21 H34 N3 O7 P NULL
28 3NN7 - BXA C2 H3 Br O2 C(C(=O)O)B....
29 1ZDP Ki = 1.8 uM TIO C12 H15 N O3 S c1ccc(cc1)....
30 1FJT - VAL LYS n/a n/a
31 3MSN - NMU C2 H6 N2 O CNC(=O)N
32 4TLN Ki = 190 uM LNO C6 H14 N2 O2 CC(C)C[C@@....
33 4MWP - 2GC C23 H32 N3 O5 P CC(C)C[C@@....
34 1QF0 Ki = 42 nM TI2 C27 H28 N2 O5 S c1ccc(cc1)....
35 1KRO - PHQ DTH n/a n/a
36 1KJP - PHQ GLU n/a n/a
37 1KL6 - PHQ ALA n/a n/a
38 1Z9G Ki = 2.3 uM RRT C12 H15 N O3 S c1ccc(cc1)....
39 4MZN - 2G9 C20 H34 N3 O5 P CC[C@H](C)....
40 5WR6 - NX6 C12 H13 N O6 c1ccc(cc1)....
41 1QF2 Ki = 1200 nM TI3 C22 H24 N2 O4 S c1ccc(cc1)....
42 1KJO - PHQ THR n/a n/a
43 1KTO - PHQ DAL n/a n/a
44 1PE7 - 4BR LEU LEN n/a n/a
45 3TMN - VAL TRP n/a n/a
46 5N2Z - 8JH C19 H33 N4 O5 P CC(C)C[C@@....
47 5JVI Kd = 0.31 uM 6QC C21 H36 N3 O5 P C[C@@H](CN....
48 8TLN - VAL LYS n/a n/a
49 5M9W Kd = 5.7 mM 7GR C17 H26 N3 O7 P CC(C)C[C@@....
50 1LNF - VAL LYS n/a n/a
51 3F28 - S7B C12 H12 O4 Cc1cccc(c1....
52 5WR3 - NX6 C12 H13 N O6 c1ccc(cc1)....
53 4OI5 - 2G6 C21 H36 N3 O5 P CC(C)C[C@@....
54 1QF1 Ki = 48 nM TI1 C19 H28 N2 O4 S CCCCC[C@@H....
55 1TLP Ki = 28 nM RDF C23 H34 N3 O10 P C[C@H]1[C@....
56 5N2T - 8KK C18 H31 N4 O5 P CC(C)C[C@@....
57 3FCQ Ki = 1.7 mM M3S C10 H10 O4 Cc1cccc(c1....
58 5JS3 Kd = 0.185 uM 6MG C22 H38 N3 O5 P C[C@H](CNC....
59 5M5F Kd = 5.7 mM 7GR C17 H26 N3 O7 P CC(C)C[C@@....
60 5LVD Kd = 2.4 mM 79F C18 H28 N3 O8 P CC(C)C[C@@....
61 5MA7 Kd = 0.336 mM 7K0 C18 H29 N4 O7 P CC(C)C[C@@....
62 1TLX - VAL LYS n/a n/a
63 5N3V - 8L5 C16 H30 N4 O5 P [H].[H].[H....
64 5TLN Ki = 0.43 uM BAN C21 H23 N5 O7 C[C@@H](C(....
65 5L8P Kd = 0.185 uM 6MG C22 H38 N3 O5 P C[C@H](CNC....
66 5L3U Kd = 0.354 uM 6NG C22 H38 N3 O5 P C[C@@H](CN....
67 5MNR - JC2 C19 H31 N4 O7 P CC(C)C[C@@....
68 1TMN Ki = 50 nM 0ZN C27 H33 N3 O5 CC(C)C[C@@....
69 3F2P - S3B C11 H12 O4 CCC(=O)Oc1....
70 1THL Ki = 0.38 uM 0DB C28 H32 N2 O5 NULL
71 1OS0 Ki = 0.93 uM 0PQ C27 H31 N2 O5 P c1ccc(cc1)....
72 5JXN Kd = 0.388 uM 6NN C20 H34 N3 O5 P CC[C@@H](C....
73 6TMN - 0PI C21 H33 N2 O8 P NULL
74 1KS7 - PHQ DAS n/a n/a
75 5DPE - 5H8 C21 H34 N3 O7 P CC(C)C[C@@....
76 5LWD Kd = 0.57 uM 79E C21 H35 N4 O6 P CC(C)C[C@@....
77 4N66 - 2GZ C20 H34 N3 O5 P CC(C)C[C@@....
78 1LND - VAL LYS n/a n/a
79 5DPF - 5H9 C22 H36 N3 O7 P CC(C)C[C@@....
80 5FXN - VAL LYS n/a n/a
81 5N3Y - 8L2 C18 H29 N4 O7 P CC(C)C[C@@....
82 5M69 Kd = 5.7 mM 7GR C17 H26 N3 O7 P CC(C)C[C@@....
83 1KEI - VAL LYS n/a n/a
84 4N5P - 2H0 C20 H34 N3 O5 P CC(C)CCNC(....
85 4MTW - 2G7 C19 H32 N3 O5 P CC(C)C[C@@....
86 5JSS Kd = 0.354 uM 6NG C22 H38 N3 O5 P C[C@@H](CN....
70% Homology Family (86)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1LNC - VAL LYS n/a n/a
2 4MXJ - 2G8 C18 H30 N3 O5 P CCCNC(=O)[....
3 5JT9 Kd = 0.233 uM 7AF C21 H36 N3 O5 P C[C@H](CNC....
4 2TMN Ki = 1.3 uM 0FA C6 H15 N2 O4 P CC(C)C[C@@....
5 5LIF Kd = 1.34 uM 6XO C24 H38 N3 O7 P CC(C)C[C@@....
6 1GXW - VAL LYS n/a n/a
7 1PE8 - BR5 LEU LEN n/a n/a
8 5N31 - 8LB C21 H35 N4 O7 P CC(C)C[C@@....
9 5N2X - 8KN C20 H33 N4 O7 P CC(C)C[C@@....
10 1LNE - VAL LYS n/a n/a
11 1Y3G Ki = 40 nM 3PL AMM LEU n/a n/a
12 1HYT - BZS C11 H12 O4 c1ccc(cc1)....
13 1LNB - VAL LYS n/a n/a
14 3MSA - B3R C6 H5 Br O c1cc(cc(c1....
15 5L41 Kd = 0.31 uM 6QC C21 H36 N3 O5 P C[C@@H](CN....
16 5WR2 - NX6 C12 H13 N O6 c1ccc(cc1)....
17 1KKK - PHQ ASP n/a n/a
18 5WR5 - NX6 C12 H13 N O6 c1ccc(cc1)....
19 1KR6 - PHQ DGL n/a n/a
20 2TLX - VAL LYS n/a n/a
21 1PE5 - BR3 LEU LEN n/a n/a
22 4N4E - 2G6 C21 H36 N3 O5 P CC(C)C[C@@....
23 5N34 - 8JQ C17 H29 N4 O5 P CC(C)C[C@@....
24 1LNA - VAL LYS n/a n/a
25 3ZI6 - VAL LYS n/a n/a
26 4TMN Ki = 0.068 nM 0PK C25 H34 N3 O7 P NULL
27 5TMN Ki = 9.1 nM 0PJ C21 H34 N3 O7 P NULL
28 3NN7 - BXA C2 H3 Br O2 C(C(=O)O)B....
29 1ZDP Ki = 1.8 uM TIO C12 H15 N O3 S c1ccc(cc1)....
30 1FJT - VAL LYS n/a n/a
31 3MSN - NMU C2 H6 N2 O CNC(=O)N
32 4TLN Ki = 190 uM LNO C6 H14 N2 O2 CC(C)C[C@@....
33 4MWP - 2GC C23 H32 N3 O5 P CC(C)C[C@@....
34 1QF0 Ki = 42 nM TI2 C27 H28 N2 O5 S c1ccc(cc1)....
35 1KRO - PHQ DTH n/a n/a
36 1KJP - PHQ GLU n/a n/a
37 1KL6 - PHQ ALA n/a n/a
38 1Z9G Ki = 2.3 uM RRT C12 H15 N O3 S c1ccc(cc1)....
39 4MZN - 2G9 C20 H34 N3 O5 P CC[C@H](C)....
40 5WR6 - NX6 C12 H13 N O6 c1ccc(cc1)....
41 1QF2 Ki = 1200 nM TI3 C22 H24 N2 O4 S c1ccc(cc1)....
42 1KJO - PHQ THR n/a n/a
43 1KTO - PHQ DAL n/a n/a
44 1PE7 - 4BR LEU LEN n/a n/a
45 3TMN - VAL TRP n/a n/a
46 5N2Z - 8JH C19 H33 N4 O5 P CC(C)C[C@@....
47 5JVI Kd = 0.31 uM 6QC C21 H36 N3 O5 P C[C@@H](CN....
48 8TLN - VAL LYS n/a n/a
49 5M9W Kd = 5.7 mM 7GR C17 H26 N3 O7 P CC(C)C[C@@....
50 1LNF - VAL LYS n/a n/a
51 3F28 - S7B C12 H12 O4 Cc1cccc(c1....
52 5WR3 - NX6 C12 H13 N O6 c1ccc(cc1)....
53 4OI5 - 2G6 C21 H36 N3 O5 P CC(C)C[C@@....
54 1QF1 Ki = 48 nM TI1 C19 H28 N2 O4 S CCCCC[C@@H....
55 1TLP Ki = 28 nM RDF C23 H34 N3 O10 P C[C@H]1[C@....
56 5N2T - 8KK C18 H31 N4 O5 P CC(C)C[C@@....
57 3FCQ Ki = 1.7 mM M3S C10 H10 O4 Cc1cccc(c1....
58 5JS3 Kd = 0.185 uM 6MG C22 H38 N3 O5 P C[C@H](CNC....
59 5M5F Kd = 5.7 mM 7GR C17 H26 N3 O7 P CC(C)C[C@@....
60 5LVD Kd = 2.4 mM 79F C18 H28 N3 O8 P CC(C)C[C@@....
61 5MA7 Kd = 0.336 mM 7K0 C18 H29 N4 O7 P CC(C)C[C@@....
62 1TLX - VAL LYS n/a n/a
63 5N3V - 8L5 C16 H30 N4 O5 P [H].[H].[H....
64 5TLN Ki = 0.43 uM BAN C21 H23 N5 O7 C[C@@H](C(....
65 5L8P Kd = 0.185 uM 6MG C22 H38 N3 O5 P C[C@H](CNC....
66 5L3U Kd = 0.354 uM 6NG C22 H38 N3 O5 P C[C@@H](CN....
67 5MNR - JC2 C19 H31 N4 O7 P CC(C)C[C@@....
68 1TMN Ki = 50 nM 0ZN C27 H33 N3 O5 CC(C)C[C@@....
69 3F2P - S3B C11 H12 O4 CCC(=O)Oc1....
70 1THL Ki = 0.38 uM 0DB C28 H32 N2 O5 NULL
71 1OS0 Ki = 0.93 uM 0PQ C27 H31 N2 O5 P c1ccc(cc1)....
72 5JXN Kd = 0.388 uM 6NN C20 H34 N3 O5 P CC[C@@H](C....
73 6TMN - 0PI C21 H33 N2 O8 P NULL
74 1KS7 - PHQ DAS n/a n/a
75 5DPE - 5H8 C21 H34 N3 O7 P CC(C)C[C@@....
76 5LWD Kd = 0.57 uM 79E C21 H35 N4 O6 P CC(C)C[C@@....
77 4N66 - 2GZ C20 H34 N3 O5 P CC(C)C[C@@....
78 1LND - VAL LYS n/a n/a
79 5DPF - 5H9 C22 H36 N3 O7 P CC(C)C[C@@....
80 5FXN - VAL LYS n/a n/a
81 5N3Y - 8L2 C18 H29 N4 O7 P CC(C)C[C@@....
82 5M69 Kd = 5.7 mM 7GR C17 H26 N3 O7 P CC(C)C[C@@....
83 1KEI - VAL LYS n/a n/a
84 4N5P - 2H0 C20 H34 N3 O5 P CC(C)CCNC(....
85 4MTW - 2G7 C19 H32 N3 O5 P CC(C)C[C@@....
86 5JSS Kd = 0.354 uM 6NG C22 H38 N3 O5 P C[C@@H](CN....
50% Homology Family (88)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1LNC - VAL LYS n/a n/a
2 4MXJ - 2G8 C18 H30 N3 O5 P CCCNC(=O)[....
3 5JT9 Kd = 0.233 uM 7AF C21 H36 N3 O5 P C[C@H](CNC....
4 2TMN Ki = 1.3 uM 0FA C6 H15 N2 O4 P CC(C)C[C@@....
5 5LIF Kd = 1.34 uM 6XO C24 H38 N3 O7 P CC(C)C[C@@....
6 1GXW - VAL LYS n/a n/a
7 1PE8 - BR5 LEU LEN n/a n/a
8 5N31 - 8LB C21 H35 N4 O7 P CC(C)C[C@@....
9 5N2X - 8KN C20 H33 N4 O7 P CC(C)C[C@@....
10 1LNE - VAL LYS n/a n/a
11 1Y3G Ki = 40 nM 3PL AMM LEU n/a n/a
12 1HYT - BZS C11 H12 O4 c1ccc(cc1)....
13 1LNB - VAL LYS n/a n/a
14 3MSA - B3R C6 H5 Br O c1cc(cc(c1....
15 5L41 Kd = 0.31 uM 6QC C21 H36 N3 O5 P C[C@@H](CN....
16 5WR2 - NX6 C12 H13 N O6 c1ccc(cc1)....
17 1KKK - PHQ ASP n/a n/a
18 5WR5 - NX6 C12 H13 N O6 c1ccc(cc1)....
19 1KR6 - PHQ DGL n/a n/a
20 2TLX - VAL LYS n/a n/a
21 1PE5 - BR3 LEU LEN n/a n/a
22 4N4E - 2G6 C21 H36 N3 O5 P CC(C)C[C@@....
23 5N34 - 8JQ C17 H29 N4 O5 P CC(C)C[C@@....
24 1LNA - VAL LYS n/a n/a
25 3ZI6 - VAL LYS n/a n/a
26 4TMN Ki = 0.068 nM 0PK C25 H34 N3 O7 P NULL
27 5TMN Ki = 9.1 nM 0PJ C21 H34 N3 O7 P NULL
28 3NN7 - BXA C2 H3 Br O2 C(C(=O)O)B....
29 1ZDP Ki = 1.8 uM TIO C12 H15 N O3 S c1ccc(cc1)....
30 1FJT - VAL LYS n/a n/a
31 3MSN - NMU C2 H6 N2 O CNC(=O)N
32 4TLN Ki = 190 uM LNO C6 H14 N2 O2 CC(C)C[C@@....
33 4MWP - 2GC C23 H32 N3 O5 P CC(C)C[C@@....
34 1QF0 Ki = 42 nM TI2 C27 H28 N2 O5 S c1ccc(cc1)....
35 1KRO - PHQ DTH n/a n/a
36 1KJP - PHQ GLU n/a n/a
37 1KL6 - PHQ ALA n/a n/a
38 1Z9G Ki = 2.3 uM RRT C12 H15 N O3 S c1ccc(cc1)....
39 4MZN - 2G9 C20 H34 N3 O5 P CC[C@H](C)....
40 5WR6 - NX6 C12 H13 N O6 c1ccc(cc1)....
41 1QF2 Ki = 1200 nM TI3 C22 H24 N2 O4 S c1ccc(cc1)....
42 1KJO - PHQ THR n/a n/a
43 1KTO - PHQ DAL n/a n/a
44 1PE7 - 4BR LEU LEN n/a n/a
45 3TMN - VAL TRP n/a n/a
46 5N2Z - 8JH C19 H33 N4 O5 P CC(C)C[C@@....
47 5JVI Kd = 0.31 uM 6QC C21 H36 N3 O5 P C[C@@H](CN....
48 8TLN - VAL LYS n/a n/a
49 5M9W Kd = 5.7 mM 7GR C17 H26 N3 O7 P CC(C)C[C@@....
50 1LNF - VAL LYS n/a n/a
51 3F28 - S7B C12 H12 O4 Cc1cccc(c1....
52 5WR3 - NX6 C12 H13 N O6 c1ccc(cc1)....
53 4OI5 - 2G6 C21 H36 N3 O5 P CC(C)C[C@@....
54 1QF1 Ki = 48 nM TI1 C19 H28 N2 O4 S CCCCC[C@@H....
55 1TLP Ki = 28 nM RDF C23 H34 N3 O10 P C[C@H]1[C@....
56 5N2T - 8KK C18 H31 N4 O5 P CC(C)C[C@@....
57 3FCQ Ki = 1.7 mM M3S C10 H10 O4 Cc1cccc(c1....
58 5JS3 Kd = 0.185 uM 6MG C22 H38 N3 O5 P C[C@H](CNC....
59 5M5F Kd = 5.7 mM 7GR C17 H26 N3 O7 P CC(C)C[C@@....
60 5LVD Kd = 2.4 mM 79F C18 H28 N3 O8 P CC(C)C[C@@....
61 5MA7 Kd = 0.336 mM 7K0 C18 H29 N4 O7 P CC(C)C[C@@....
62 1TLX - VAL LYS n/a n/a
63 5N3V - 8L5 C16 H30 N4 O5 P [H].[H].[H....
64 5TLN Ki = 0.43 uM BAN C21 H23 N5 O7 C[C@@H](C(....
65 5L8P Kd = 0.185 uM 6MG C22 H38 N3 O5 P C[C@H](CNC....
66 5L3U Kd = 0.354 uM 6NG C22 H38 N3 O5 P C[C@@H](CN....
67 5MNR - JC2 C19 H31 N4 O7 P CC(C)C[C@@....
68 1TMN Ki = 50 nM 0ZN C27 H33 N3 O5 CC(C)C[C@@....
69 3F2P - S3B C11 H12 O4 CCC(=O)Oc1....
70 1THL Ki = 0.38 uM 0DB C28 H32 N2 O5 NULL
71 1OS0 Ki = 0.93 uM 0PQ C27 H31 N2 O5 P c1ccc(cc1)....
72 5JXN Kd = 0.388 uM 6NN C20 H34 N3 O5 P CC[C@@H](C....
73 6TMN - 0PI C21 H33 N2 O8 P NULL
74 1KS7 - PHQ DAS n/a n/a
75 5DPE - 5H8 C21 H34 N3 O7 P CC(C)C[C@@....
76 5LWD Kd = 0.57 uM 79E C21 H35 N4 O6 P CC(C)C[C@@....
77 4N66 - 2GZ C20 H34 N3 O5 P CC(C)C[C@@....
78 1LND - VAL LYS n/a n/a
79 5DPF - 5H9 C22 H36 N3 O7 P CC(C)C[C@@....
80 5FXN - VAL LYS n/a n/a
81 5N3Y - 8L2 C18 H29 N4 O7 P CC(C)C[C@@....
82 5M69 Kd = 5.7 mM 7GR C17 H26 N3 O7 P CC(C)C[C@@....
83 1KEI - VAL LYS n/a n/a
84 4N5P - 2H0 C20 H34 N3 O5 P CC(C)CCNC(....
85 4MTW - 2G7 C19 H32 N3 O5 P CC(C)C[C@@....
86 5JSS Kd = 0.354 uM 6NG C22 H38 N3 O5 P C[C@@H](CN....
87 5A3Y - VAL LYS n/a n/a
88 4B52 - RDF C23 H34 N3 O10 P C[C@H]1[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 0ZN; Similar ligands found: 28
No: Ligand ECFP6 Tc MDL keys Tc
1 0ZN 1 1
2 X95 0.727273 0.803922
3 LSW 0.727273 0.803922
4 R38 0.552941 0.77551
5 R59 0.552941 0.77551
6 RDF 0.509259 0.632353
7 ALA TRP LEU PHE GLU ALA 0.46087 0.895833
8 GM6 0.444444 0.701754
9 ARG LEU TRP SER 0.441441 0.716667
10 ALA ALA TRP LEU PHE GLU ALA 0.438017 0.895833
11 ASP ASN ARG LEU GLY LEU VAL TYR TRP PHE 0.431193 0.84
12 FLX 0.428571 0.655738
13 KAW 0.427273 0.769231
14 TRP GLU GLU LEU 0.427184 0.857143
15 LYS TRP 0.425532 0.705882
16 HPI 0.425532 0.68
17 DTR 0.421687 0.673913
18 TRP 0.421687 0.673913
19 8NN 0.421569 0.639344
20 93W 0.421569 0.639344
21 RX3 0.420168 0.645161
22 ALA LEU ASP LYS TRP ALA SER 0.420168 0.754386
23 ALA LEU ASP LYS TRP ASP 0.415929 0.777778
24 TYR TRP ALA ALA ALA ALA 0.414414 0.8
25 LYS TRP LYS 0.414141 0.730769
26 GLU LEU GLU LYS TRP ALA SER 0.413223 0.767857
27 ALA LEU ASP LYS TRP GLN ASN 0.403509 0.792453
28 GLU LEU ASP LYS TRP ALA SER 0.4 0.754386
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4TMN; Ligand: 0PK; Similar sites found: 36
This union binding pocket(no: 1) in the query (biounit: 4tmn.bio1) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1WS1 BB2 0.005558 0.41882 1.28205
2 4CA5 3EF 0.001016 0.4591 2.21519
3 4BXK 1IU 0.0007355 0.45249 2.21519
4 5KDX GAL TNR 0.0202 0.41303 3.16456
5 2YB9 HA0 0.01049 0.42316 3.48101
6 4ZW3 4S9 0.004507 0.41646 3.48101
7 3HBV ALA LYS ALA SER GLN ALA ALA 0.0002583 0.40493 3.48101
8 3DWB RDF 0.000002104 0.4748 3.79747
9 3AHO 3A2 0.000812 0.4346 3.79747
10 1MMQ RRS 0.001337 0.44291 4.11765
11 4WZV E40 0.003352 0.40947 4.375
12 4AR8 IP8 GLY PRO ALA 0.0001521 0.42919 4.43038
13 2GQT FAD 0.02001 0.40364 4.47761
14 4QHP 32Q 0.002473 0.40455 4.74684
15 2FV5 541 0.002893 0.41952 4.98084
16 1BKC INN 0.0004457 0.40429 5.07812
17 1R55 097 0.002935 0.44999 5.6962
18 4UCC ZKW 0.04186 0.40352 6.00858
19 4DV8 0LX 0.001779 0.43364 6.01266
20 1BRW URA 0.01797 0.41635 6.01266
21 5A0R ACE GLU VAL ASN PRO 0.003741 0.41061 6.06061
22 5V4R MGT 0.01138 0.41825 6.17284
23 1ATL 0QI 0.003621 0.40232 6.43564
24 3WV1 WHH 0.01132 0.40649 7.01754
25 3DGY 2GP 0.02059 0.41527 7.2165
26 3WMX THR 0.0444 0.401 7.27848
27 1ZVX FIN 0.005521 0.41271 7.97546
28 4ARF IP8 GLY PRO ALA 0.009577 0.40574 8.22785
29 5L44 K26 0.0002211 0.42267 8.86076
30 2ZXG S23 0.001431 0.42622 9.81013
31 1G27 BB1 0.00447 0.41572 11.3095
32 4KX8 L2O VAL VAL ASP 0.0006203 0.42307 12.6582
33 2V57 PRL 0.0007202 0.49308 13.1579
34 3D3X ARG ILE MET GLU NH2 0.001736 0.42279 14.2405
35 2TCL RO4 0.0008696 0.41722 15.9763
36 3DBK RDF 0.0000000000007465 0.74331 41.5282
Feedback