Receptor
PDB id Resolution Class Description Source Keywords
4IN9 1.55 Å EC: 3.-.-.- STRUCTURE OF KARILYSIN MMP-LIKE CATALYTIC DOMAIN IN COMPLEX INHIBITORY TETRAPEPTIDE SWFP TANNERELLA FORSYTHIA MATRIXIN METALLOPEPTIDASE METALLOPROTEASE HYDROLYTIC ENZYHYDROLASE
Ref.: STRUCTURE OF THE CATALYTIC DOMAIN OF THE TANNERELLA FORSYTHIA MATRIX METALLOPEPTIDASE KARILYSIN IN COMP A TETRAPEPTIDIC INHIBITOR. ACTA CRYSTALLOGR.,SECT.F V. 69 472 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:305;
A:307;
A:306;
A:308;
A:309;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
ZN A:302;
A:301;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
K A:303;
Part of Protein;
none;
submit data
39.098 K [K+]
SER TRP PHE PRO B:1;
Valid;
none;
Ki = 10.7 uM
535.601 n/a O=C([...
NA A:304;
Part of Protein;
none;
submit data
22.99 Na [Na+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4IN9 1.55 Å EC: 3.-.-.- STRUCTURE OF KARILYSIN MMP-LIKE CATALYTIC DOMAIN IN COMPLEX INHIBITORY TETRAPEPTIDE SWFP TANNERELLA FORSYTHIA MATRIXIN METALLOPEPTIDASE METALLOPROTEASE HYDROLYTIC ENZYHYDROLASE
Ref.: STRUCTURE OF THE CATALYTIC DOMAIN OF THE TANNERELLA FORSYTHIA MATRIX METALLOPEPTIDASE KARILYSIN IN COMP A TETRAPEPTIDIC INHIBITOR. ACTA CRYSTALLOGR.,SECT.F V. 69 472 2013
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 218 families.
1 2XS4 - ALA PHE THR n/a n/a
2 4IN9 Ki = 10.7 uM SER TRP PHE PRO n/a n/a
3 2XS3 - ALA PHE THR SER n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 176 families.
1 2XS4 - ALA PHE THR n/a n/a
2 4IN9 Ki = 10.7 uM SER TRP PHE PRO n/a n/a
3 2XS3 - ALA PHE THR SER n/a n/a
50% Homology Family (154)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2XS4 - ALA PHE THR n/a n/a
2 4IN9 Ki = 10.7 uM SER TRP PHE PRO n/a n/a
3 2XS3 - ALA PHE THR SER n/a n/a
4 1D8M - BBH C19 H21 N3 O6 S COc1ccc(cc....
5 1BIW ic50 = 104 nM S80 C20 H37 N3 O6 CC(C)C[C@H....
6 4DPE - NGH C13 H20 N2 O5 S CC(C)C[N@]....
7 2D1O Ki = 0.02 uM FA4 C24 H42 N6 O3 [H]/N=C(/N....
8 1HY7 ic50 = 4090 nM MBS C20 H21 N O6 S COCC#CC[C@....
9 1BQO ic50 = 18.4 nM N25 C21 H27 N3 O8 S2 CC1(C[N@](....
10 2USN Ki = 0.31 uM IN8 C19 H18 N4 O3 S2 c1ccc(cc1)....
11 1B3D - S27 C20 H27 N2 O3 P CC(C)C[C@H....
12 1CIZ Ki = 36 nM DPS C28 H29 N3 O4 S c1ccc(cc1)....
13 1D8F ic50 = 18 nM SPI C20 H23 N3 O7 S COc1ccc(cc....
14 1HFS Ki = 2 nM L04 C43 H48 F N3 O5 CC(C)C[C@@....
15 1D7X - SPC C13 H19 N3 O6 S COc1ccc(cc....
16 1G05 ic50 = 3.1 nM BBH C19 H21 N3 O6 S COc1ccc(cc....
17 1B8Y Ki = 14 nM IN7 C19 H22 N2 O4 S c1ccc(cc1)....
18 1CAQ Ki = 19 nM DPS C28 H29 N3 O4 S c1ccc(cc1)....
19 1G4K - HQQ C17 H14 N2 O4 CC1(C(=O)N....
20 4JA1 - NGH C13 H20 N2 O5 S CC(C)C[N@]....
21 1G49 ic50 = 16 nM 111 C16 H25 N3 O7 S2 CCCCOc1ccc....
22 1SLN Ki = 0.23 uM INH C25 H35 N6 O4 C[C@H](C(=....
23 1C3I - TR1 C24 H31 N3 O4 S CC(C)[C@@H....
24 1USN Ki = 0.018 uM IN9 C13 H10 F5 N5 O2 S2 CNC(=O)[C@....
25 4G9L - NGH C13 H20 N2 O5 S CC(C)C[N@]....
26 3AYU - ILE SER TYR GLY ASN ASP ALA LEU MET PRO n/a n/a
27 5I4O - V28 C28 H35 N5 O9 S CC(C)[C@H]....
28 4GQL Ki = 0.26 nM R47 C35 H35 Br Cl N4 O10 P c1cc(cc(c1....
29 1UTT ic50 = 24 uM CP8 C19 H20 N2 O4 S C[N@@]1c2c....
30 5I0L ic50 = 10 nM H27 C34 H42 N4 O12 S2 CC(C)[C@H]....
31 4EFS Ki = 2.5 nM E37 C22 H20 N2 O4 S c1ccc(cc1)....
32 4GR3 Ki = 15.5 nM R45 C29 H32 Br N4 O10 P c1ccc(cc1)....
33 5CZM - R47 C35 H35 Br Cl N4 O10 P c1cc(cc(c1....
34 1Y93 Kd = 8 mM HAE C2 H5 N O2 CC(=O)NO
35 3TSK - QEG C29 H32 N4 O6 S c1ccc(cc1)....
36 2W0D ic50 ~ 2 nM CGS C18 H23 N3 O5 S CC(C)[C@H]....
37 3F16 Kd = 5.91 nM HS3 C10 H12 N2 O6 S COc1ccc(cc....
38 5D3C - 56O C30 H32 Cl N5 O10 c1cc(cc(c1....
39 3NX7 Kd = 7.88 nM NHK C11 H16 N2 O6 S COc1ccc(cc....
40 3N2U - D3X C17 H26 N2 O11 S COc1ccc(cc....
41 2OXW - ILE ALA GLY n/a n/a
42 3EHY Ki = 1.4 uM TBL C10 H13 N O5 S C[C@H](C(=....
43 1UTZ ic50 = 0.014 uM PF3 C25 H20 N2 O3 S c1ccc(cc1)....
44 3LKA Kd = 1.5 mM M4S C7 H9 N O3 S COc1ccc(cc....
45 3F19 Kd = 65.1 nM HS6 C8 H7 F N2 O4 S c1cc(ccc1F....
46 5L7F Ki = 0.9 nM R47 6PJ n/a n/a
47 3EHX Ki = 25 nM BDL C18 H21 N O4 S CC(C)C[C@H....
48 2HU6 Kd = 154 uM 37A C20 H21 N3 O5 c1ccc(cc1)....
49 3N2V - JT5 C16 H18 N2 O5 S c1ccc(cc1)....
50 3F18 Kd = 29.5 nM HS5 C10 H11 F N2 O5 S c1cc(ccc1F....
51 4GR8 Ki = 14.7 nM R4C C25 H28 Br N4 O6 P C[C@@H](C(....
52 3F15 Kd = 7.88 nM HS1 C12 H16 N2 O7 S COc1ccc(cc....
53 2OXZ - ILE ALA GLY n/a n/a
54 3LIK Ki = 1.92 nM EEG C29 H31 N3 O7 S c1ccc(cc1)....
55 5I43 - 67M C37 H47 N5 O13 S CC(C)[C@H]....
56 3F17 Kd = 2.36 nM HS4 C14 H12 N2 O4 S c1ccc(cc1)....
57 5D2B - 56O C30 H32 Cl N5 O10 c1cc(cc(c1....
58 2WO8 ic50 = 0.52 uM 077 C17 H18 O3 c1ccc(cc1)....
59 1OS2 - HAE C2 H5 N O2 CC(=O)NO
60 4GR0 Ki = 0.28 nM R4B C31 H31 Br Cl N4 O6 P C[C@@H](C(....
61 2WOA ic50 = 1.15 uM 576 C18 H18 O3 c1ccc-2c(c....
62 3LK8 Kd = 19.7 nM Z79 C9 H12 N2 O5 S COc1ccc(cc....
63 5L79 Ki = 0.9 nM R47 6PJ n/a n/a
64 3F1A Kd = 61.1 nM HS7 C8 H8 N2 O4 S c1ccc(cc1)....
65 2WO9 ic50 = 0.062 uM 068 C19 H20 O4 CC(=O)c1cc....
66 3LJG Ki = 18.6 nM EEF C25 H29 N3 O7 c1ccc(cc1)....
67 5I3M - 67F C28 H38 N4 O9 S2 CC(C)[C@@H....
68 1RMZ - NGH C13 H20 N2 O5 S CC(C)C[N@]....
69 3LIL Ki = 8.3 nM EEA C28 H29 Cl N4 O8 c1cc(cc(c1....
70 4I03 - L88 C58 H66 N4 O11 S2 c1ccc(cc1)....
71 1ROS ic50 = 0.0017 uM DEO C28 H25 N O6 CCOc1ccc(c....
72 5CXA - 55L C30 H31 Cl N4 O10 c1cc(cc(c1....
73 5I2Z - V24 C34 H41 N5 O12 S CC(C)[C@H]....
74 1JK3 - BAT C23 H31 N3 O4 S2 CC(C)C[C@H....
75 3LIR Ki = 119 nM EEC C22 H26 N4 O8 c1ccc(cc1)....
76 3TS4 Ki = 1.9 nM EEG C29 H31 N3 O7 S c1ccc(cc1)....
77 3KEJ Ki = 75.9 nM 3EJ C22 H17 F N6 O3 c1cc(cc(c1....
78 4L19 Ki = 0.8 uM 1UA C15 H16 N2 O S Cc1ccc(cc1....
79 5BOT ic50 = 39 uM 4UM C12 H12 N2 O3 CCOC(=O)c1....
80 3KRY Kd < 0.1 nM 3KR C22 H23 F3 N2 O7 S COCCN1CCC(....
81 1XUD ic50 = 8 nM PB4 C22 H20 F2 N4 O2 Cc1cc(ccc1....
82 3I7I ic50 = 620 nM 518 C29 H29 N3 O5 CNC(=O)[C@....
83 3WV1 ic50 = 0.0039 nM WHH C26 H22 F N3 O6 COc1cccc(c....
84 5BPA ic50 = 0.001 uM 4UF C24 H22 N4 O5 CCOC(=O)c1....
85 4JPA ic50 = 3.3 nM AZ6 C21 H23 N7 O5 S C[C@]1(C(=....
86 5B5O ic50 = 1900 nM WMM C12 H11 N5 S2 c1ccc(cc1)....
87 2OW9 ic50 = 30 nM SP6 C21 H16 N2 O4 S c1ccc(cc1)....
88 3ELM ic50 = 0.5 nM 24F C23 H30 N2 O7 S2 CCOc1ccc(c....
89 1CXV - CBP C19 H20 Cl N O6 S c1cc(ccc1O....
90 4A7B - 3W5 C27 H30 N2 O5 S c1cc(ccc1C....
91 3WV2 ic50 = 12 nM WGG C17 H15 N3 O3 COc1cccc(c....
92 4JP4 - AZ4 C19 H23 F4 N7 O5 S c1c(cnc(n1....
93 2OZR ic50 = 0.67 nM GG1 C26 H20 N2 O4 CN1c2ccc(c....
94 5UWK ic50 = 2.3 nM 8OM C25 H27 N3 O5 S2 CC(C)[C@@H....
95 1YOU ic50 = 0.87 nM PFD C20 H19 F N2 O6 CCOCCC1(C(....
96 830C Ki = 0.52 nM RS1 C19 H20 Cl N O6 S c1cc(ccc1O....
97 5BOY ic50 = 2.5 uM 4UE C15 H15 N3 O2 CCOC(=O)c1....
98 3I7G ic50 = 430 nM 732 C20 H23 Cl N2 O3 CNC(=O)[C@....
99 1XUC ic50 = 72 nM PB3 C22 H22 N4 O2 Cc1cccc(c1....
100 1ZTQ ic50 = 1.3 nM 033 C26 H24 N2 O6 S CC(C)[C@@H....
101 456C Ki = 0.17 nM CBP C19 H20 Cl N O6 S c1cc(ccc1O....
102 1XUR ic50 = 6600 nM PB5 C18 H16 N6 O2 c1cc(cnc1)....
103 2D1N Ki = 0.007 uM FA4 C24 H42 N6 O3 [H]/N=C(/N....
104 3KEC ic50 = 130 nM 3KE C24 H21 N5 O4 COc1ccc(cc....
105 5UWM ic50 = 356 nM 8OA C25 H28 N4 O4 S CC(C)[C@H]....
106 3TVC Ki = 18 nM E3P C26 H26 N2 O4 c1ccc(cc1)....
107 3ZXH - E41 C20 H28 N2 O4 S CC(C)CCN([....
108 3KEK Ki = 4.4 nM 3EK C24 H26 F N5 O3 Cc1cc(cc(n....
109 3WV3 ic50 = 24 nM WLL C15 H13 N3 O3 S COc1cccc(c....
110 2YIG ic50 = 79.4 nM 5EL C28 H27 N3 O3 c1cc(ccc1C....
111 5B5P ic50 = 0.2 nM WNN C20 H18 N6 O3 S c1ccc2c(c1....
112 3LJZ Ki = 7.3 nM LA3 C27 H26 N2 O6 c1ccc2c(c1....
113 1MNC - PLH C18 H27 N3 O4 CC(C)C[C@H....
114 3DPE ic50 = 57 nM AXB C24 H21 N5 O6 S2 c1cc2c(cc1....
115 1I76 - BSI C22 H19 N O4 S c1ccc(cc1)....
116 1ZP5 ic50 = 1200 uM 2NI C17 H17 N3 O3 CN(CCOc1cc....
117 1JAP - PRO LEU GLY HOA n/a n/a
118 2OY2 - ILE ALA GLY n/a n/a
119 1I73 - PRO LEU PAT n/a n/a
120 3DNG ic50 = 7.4 nM AXA C22 H21 N5 O5 S c1cc2c(cc1....
121 1JAO Ki = 1.2 uM 0D3 C15 H21 N3 O3 S NULL
122 1ZS0 Ki = 0.7 uM EIN C17 H22 N O6 P S CC(C)[C@@H....
123 1BZS ic50 = 10 nM BSI C22 H19 N O4 S c1ccc(cc1)....
124 1JAQ Ki = 33 uM 01S C12 H22 N4 O5 NULL
125 1KBC - HLE RIN n/a n/a
126 1JAN - PRO LEU GLY HOA n/a n/a
127 5H8X ic50 = 3.1 uM 7FY C18 H15 N O4 S c1ccc(cc1)....
128 1MMB - BAT C23 H31 N3 O4 S2 CC(C)C[C@H....
129 3DPF - AXB C24 H21 N5 O6 S2 c1cc2c(cc1....
130 1JJ9 ic50 = 1700 nM BBT C17 H21 N3 O4 c1ccc(cc1)....
131 1ZVX Ki = 0.6 nM FIN C17 H22 N O6 P S CC(C)[C@H]....
132 3TT4 Ki = 5.3 nM E1S C19 H22 N2 O4 S Cc1ccc(s1)....
133 1MMQ Ki = 0.03 uM RRS C25 H36 N4 O4 CC(C)C[C@H....
134 2Y6C ic50 = 50 uM TQI C18 H14 Cl F3 N2 O4 S c1ccc2c(c1....
135 1MMP Ki = 0.85 uM RSS C25 H35 N3 O4 CC(C)C[C@H....
136 1MMR Ki = 4 uM SRS C25 H39 N5 O2 S CC(C)C[C@H....
137 4JQG - 8MC PRO LEU GLY PFF DNW ALA ARG NH2 n/a n/a
138 1GKC - NFH C15 H29 N3 O4 CC(C)C[C@H....
139 5I12 ic50 = 1200 nM H27 C34 H42 N4 O12 S2 CC(C)[C@H]....
140 1GKD - STN BUM n/a n/a
141 2OW0 - 6MR C23 H19 I N2 O4 S c1ccc2c(c1....
142 4WZV ic50 = 0.43 nM E40 C28 H29 N3 O8 S CC(C)ON([C....
143 2OVX - 4MR C24 H22 N6 O4 c1ccc(cc1)....
144 4JIJ - 8MC PRO LEU GLY PHI DNW ALA ARG NH2 n/a n/a
145 4XCT ic50 = 6.7 nM N73 C20 H26 N2 O5 S CC(C)[C@H]....
146 2OW1 - 7MR C16 H15 F3 N2 O5 S c1ccc(cc1)....
147 2OVZ - 5MR C30 H29 N4 O5 P c1ccc(cc1)....
148 1CGL Ki = 135 nM 0ED C33 H47 N5 O7 NULL
149 966C Ki = 23 nM RS2 C19 H21 N O6 S c1ccc(cc1)....
150 2TCL ic50 = 9 nM RO4 C19 H35 N3 O6 CCOC(=O)[C....
151 1HFC - PLH C18 H27 N3 O4 CC(C)C[C@H....
152 5UE4 Kd = 3.3 uM 5XQ C16 H16 N4 O2 S2 Cc1c(sc(n1....
153 1RM8 - BAT C23 H31 N3 O4 S2 CC(C)C[C@H....
154 1Q3A - NGH C13 H20 N2 O5 S CC(C)C[N@]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SER TRP PHE PRO; Similar ligands found: 80
No: Ligand ECFP6 Tc MDL keys Tc
1 SER TRP PHE PRO 1 1
2 GLY SER ASP PRO TRP LYS 0.591667 0.95082
3 MET TYR TRP TYR PRO TYR 0.58871 0.794118
4 PHE SER ASP PRO TRP GLY GLY 0.569231 0.967213
5 GLU PHE SER PRO 0.557692 0.866667
6 ALA LEU TRP GLY PHE PHE PRO VAL LEU 0.550725 0.84375
7 ACE TRP ARG VAL PRO 0.536585 0.757143
8 MDL 0.534483 0.710145
9 TRP PRO TRP 0.518519 0.881356
10 ARG PHE PRO LEU THR PHE GLY TRP 0.516779 0.805556
11 SER ASN TRP SER HIS PRO GLN PHE GLU LYS 0.510067 0.936508
12 SER PRO LEU ASP SER LEU TRP TRP ILE 0.50365 0.893939
13 ARG TYR PRO LEU THR PHE GLY TRP 0.496774 0.783784
14 ALA PRO ALA TRP LEU PHE GLU ALA 0.496454 0.815385
15 ARG PHE PRO LEU THR PHE GLY TRP CYS PHE 0.49375 0.783784
16 PHE ALA PRO GLY ASN TYR PRO ALA TRP 0.493333 0.826087
17 ASP ASN ARG LEU GLY LEU VAL TYR TRP PHE 0.491228 0.630769
18 SER VAL TYR ASP PHE PHE VAL TRP LEU 0.48855 0.691176
19 GLY SER ASP PRO PHE LYS 0.487603 0.885246
20 ASP GLU ASP LYS TRP ASP ASP PHE 0.487395 0.754098
21 ALA TRP ARG HIS PRO GLN PHE GLY GLY 0.487013 0.782609
22 LYS ARG LYS SER ARG TRP ASP GLU THR PRO 0.486842 0.816901
23 ASN ASP LYS TYR GLU PRO PHE TRP GLU 0.483871 0.833333
24 ASN ASP TRP LEU LEU PRO SER TYR 0.482993 0.842857
25 ALA LEU TRP GLY PHE VAL PRO VAL LEU 0.482759 0.84375
26 LYS TRP LYS 0.480769 0.762712
27 MET TRP ARG PRO TRP 0.477941 0.722222
28 ARG TYR PRO LEU THR LEU GLY TRP CYS PHE 0.475904 0.763158
29 GLY PHE GLU PRO 0.472727 0.783333
30 ALA VAL PRO TRP 0.470085 0.822581
31 LEU ASN PHE PRO ILE SER PRO 0.46875 0.808824
32 ACE ASN PRO ASP TRP ASP PHE ASN NH2 0.465116 0.777778
33 ARG TYR PRO LEU THR PHE GLY TRP CYS PHE 0.464286 0.75
34 ILE ARG TYR PRO LYS THR PHE GLY TRP 0.462963 0.783784
35 GLU ASP ASN ASP TRP ASN 0.462264 0.650794
36 ASP TRP ASN 0.462264 0.650794
37 THR LEU PRO TRP ASP LEU TRP THR THR 0.460432 0.863636
38 PHE PRO ARG PRO TRP LEU HIS GLY LEU 0.455696 0.739726
39 SER ARG ARG TRP ARG ARG TRP ASN ARG 0.455285 0.73913
40 GLY PHE ARG PRO 0.448276 0.716418
41 IPF 0.447761 0.830769
42 SER ASP ILE LEU PHE PRO ALA ASP SER 0.444444 0.80303
43 GLU PRO GLN ALA PRO TRP MET GLU GLN 0.441379 0.742857
44 GLY GLU GLU TRP GLY PRO TRP VAL NH2 0.440298 0.857143
45 GLU PRO GLN ALA PRO TRP MET GLU 0.438356 0.742857
46 ALA ASN SER ARG TRP PRO THR SER ALY ILE 0.437909 0.783784
47 ALA ASN SER ARG TRP PRO THR THR ARG LEU 0.435714 0.791667
48 ALA ASN SER ARG TRP PRO ALY SER ILE ILE 0.434483 0.892308
49 ALA TRP LEU PHE GLU ALA 0.433071 0.640625
50 PRO ARG PRO ILE LEU LEU PRO TRP ARG NH2 0.432432 0.708333
51 PRO GLN PRO VAL ASP SER TRP VAL 0.430464 0.892308
52 MET SER LEU PRO GLY ARG TRP LYS PRO LYS 0.429448 0.763158
53 TRP ASN TRP PHE ASP ILE THR ASN LYS 0.426573 0.661765
54 SER SER VAL VAL GLY VAL TRP TYR LEU 0.42446 0.705882
55 LYS TRP 0.423077 0.711864
56 PHE LEU PRO SER ASP PHE PHE PRO SER VAL 0.422222 0.876923
57 SER LEU PHE HIS 22G THR PRO 0.422078 0.84058
58 ASN GLN LEU ALA TRP PHE ASP THR ASP LEU 0.42069 0.671642
59 PHE LEU TRP GLY PRO ARG ALA LEU VAL 0.420382 0.760563
60 MET ASN TRP ASN ILE 0.418803 0.61194
61 LYS VAL PRO ARG ASN GLN ASP TRP LEU 0.41875 0.753425
62 ABA SER LEU TRP ASN GLY PRO HIS LEU 0.416667 0.84058
63 PHE ALA PRO GLY PHE PHE PRO TYR LEU 0.415493 0.768116
64 ARG LEU TRP SER 0.414634 0.671429
65 TRP GLU TYR ILE PRO ASN VAL 0.414474 0.8
66 GLY LEU MET TRP LEU SER TYR PHE VAL 0.413793 0.704225
67 ALA ALA TRP LEU PHE GLU ALA 0.413534 0.640625
68 ACE ASN TRP GLU THR PHE 0.411765 0.671642
69 MET HIS PRO ALA GLN THR SER GLN TRP 0.409938 0.805556
70 AZL 0.408333 0.685714
71 ACE PHE HIS PRO ALA NH2 0.408 0.765625
72 ILE ASP TRP PHE ASP GLY LYS ASP 0.407143 0.738462
73 GLU GLY PRO ARG ASN GLN ASP TRP LEU 0.40625 0.753425
74 ALA ASN SER ARG TRP PRO THR SER FAK ILE 0.404762 0.74359
75 SER SER VAL ILE GLY VAL TRP TYR LEU 0.40411 0.695652
76 PRO ALA TRP LEU PHE GLU ALA 0.402778 0.734375
77 TYR TRP ALA ALA ALA ALA 0.401639 0.625
78 HIS SER LEU PHE HIS PUK THR PRO 0.401274 0.865672
79 ALA LEU TRP GLY PRO ASP PRO ALA ALA ALA 0.4 0.830769
80 TYR PRO PHE PHE NH2 0.4 0.806452
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4IN9; Ligand: SER TRP PHE PRO; Similar sites found: 73
This union binding pocket(no: 1) in the query (biounit: 4in9.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4INB 1F6 0.03414 0.42142 1.36986
2 4EKQ NPO 0.0187 0.40403 1.80723
3 5HGR 45D 0.03625 0.411 2.40964
4 4PYW ACE THR THR ALA ILE NH2 0.02037 0.41097 2.40964
5 5L7G 6QE 0.02683 0.40642 2.40964
6 4BLW SAH 0.03721 0.40322 2.40964
7 4AR8 IP8 GLY PRO ALA 0.0002958 0.40377 3.01205
8 4LSJ LSJ 0.03445 0.4 3.01205
9 4KX8 L2O VAL VAL ASP 0.0001141 0.53039 3.61446
10 1J0X NAD 0.01956 0.43256 3.61446
11 5FBN 5WF 0.04677 0.40662 3.61446
12 1U1W 3HA 0.01591 0.40592 3.61446
13 5KDS A2G THR ALA PRO GLY GLY NAG SIA 0.02163 0.40496 3.61446
14 5KD8 TNR 0.004134 0.42847 4.21687
15 4DR9 BB2 0.0002455 0.40539 4.21687
16 2DBZ NAP 0.03871 0.40535 4.21687
17 1VG0 GER 0.01606 0.40231 4.21687
18 4BJ8 BTN 0.02414 0.40144 4.7619
19 3V1V GST 0.0261 0.40163 4.81928
20 3KEE 30B 0.02744 0.40002 4.81928
21 2J83 BAT 0.000006529 0.5944 5.42169
22 4ARF IP8 GLY PRO ALA 0.001513 0.46334 5.42169
23 4TWP AXI 0.03373 0.43391 5.42169
24 1KZN CBN 0.01409 0.41754 5.42169
25 1YMT DR9 0.02722 0.40919 5.42169
26 3SUD SUE 0.02456 0.40503 5.42169
27 2W14 WR2 0.000002307 0.49388 6.0241
28 2BOY BHO 0.005251 0.4304 6.0241
29 1Y79 LYS TRP 0.004952 0.42949 6.0241
30 1ZDT PEF 0.01716 0.4207 6.0241
31 5VYR B62 0.04087 0.40414 6.0241
32 5VYR GMP 0.04087 0.40414 6.0241
33 1R55 097 0.00000163 0.53762 6.62651
34 2ZXG S23 0.0008524 0.48957 6.62651
35 4ZW3 4S9 0.003822 0.46189 6.62651
36 4K90 MLA 0.003234 0.4363 6.62651
37 5E72 SAM 0.01645 0.41378 6.62651
38 4B52 RDF 0.001502 0.45911 7.22892
39 2EW5 Y12 0.004334 0.44434 7.22892
40 1S17 GNR 0.00005669 0.40829 7.22892
41 4EO3 FMN 0.03779 0.40068 7.22892
42 4DD8 BAT 0.000001489 0.6009 7.83133
43 3Q2H QHF 0.00002782 0.4281 7.83133
44 4WKI 3PW 0.000004651 0.4939 8.43373
45 3M6P BB2 0.0005187 0.48801 8.43373
46 3AHO 3A2 0.002163 0.47039 8.43373
47 3E3U NVC 0.0004778 0.40983 8.43373
48 1AWI PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO 0.01399 0.41078 8.69565
49 3HY9 098 0.00001094 0.58131 9.03614
50 5U5G NAP 0.03433 0.40768 9.03614
51 1RL4 BRR 0.00001229 0.5126 9.57447
52 1ATL 0QI 0.000005821 0.59614 9.63855
53 4AIG FLX 0.00001185 0.49285 9.63855
54 3DWB RDF 0.001147 0.46565 9.63855
55 1QJI PKF 0.002458 0.45506 9.63855
56 3SVJ 4LI 0.002286 0.45893 10.241
57 3R9V DXC 0.008201 0.42226 10.241
58 5X20 NAD 0.02741 0.40894 13.253
59 1G27 BB1 0.0002222 0.40153 13.253
60 2Q8H TF4 0.003163 0.42755 13.8554
61 5A3Y VAL LYS 0.004288 0.41229 14.4578
62 5A0R ACE GLU VAL ASN PRO 0.01343 0.42614 15.0602
63 2FV5 541 0.0000003275 0.41484 15.0602
64 1BKC INN 0.00000007208 0.55481 16.2651
65 4QHP 32Q 0.002757 0.45427 19.2771
66 5AYV NAP 0.01232 0.42449 20.4819
67 5AYV KPL 0.03226 0.41367 20.4819
68 1YP1 LYS ASN LEU 0.0000003868 0.57912 24.0964
69 1KAP GLY SER ASN SER 0.0004185 0.49192 24.6988
70 4DV8 0LX 0.006516 0.4486 24.6988
71 3HBV ALA LYS ALA SER GLN ALA ALA 0.0001565 0.4286 26.506
72 1KUK PCA LYS TRP 0.000003413 0.59024 28.3133
73 1Q1Y BB2 0.000605 0.40485 33.7349
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