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(N...
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 312 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 261 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 (165)
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 = 18 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 6RLY Ki = 17.5 uM K8T C21 H20 N2 O3 c1ccc(cc1)....
35 1Y93 Kd = 8 mM HAE C2 H5 N O2 CC(=O)NO
36 6RD0 Ki = 17.7 uM K0Q C17 H17 N3 O3 c1ccc2c(c1....
37 3TSK - QEG C29 H32 N4 O6 S c1ccc(cc1)....
38 2W0D ic50 ~ 2 nM CGS C18 H23 N3 O5 S CC(C)[C@H]....
39 3F16 Kd = 5.91 nM HS3 C10 H12 N2 O6 S COc1ccc(cc....
40 5D3C - 56O C30 H32 Cl N5 O10 c1cc(cc(c1....
41 3NX7 Kd = 7.88 nM NHK C11 H16 N2 O6 S COc1ccc(cc....
42 3N2U - D3X C17 H26 N2 O11 S COc1ccc(cc....
43 2OXW - ILE ALA GLY n/a n/a
44 3EHY Ki = 1.4 uM TBL C10 H13 N O5 S C[C@H](C(=....
45 1UTZ ic50 = 0.014 uM PF3 C25 H20 N2 O3 S c1ccc(cc1)....
46 3LKA Kd = 1.5 mM M4S C7 H9 N O3 S COc1ccc(cc....
47 3F19 Kd = 65.1 nM HS6 C8 H7 F N2 O4 S c1cc(ccc1F....
48 5L7F Ki = 0.9 nM R47 6PJ n/a n/a
49 6ENM - LPW C21 H19 N O5 S COc1ccc(cc....
50 3EHX Ki = 25 nM BDL C18 H21 N O4 S CC(C)C[C@H....
51 6EOX - BKW C21 H18 O5 S COc1ccc(cc....
52 2HU6 Kd = 154 uM 37A C20 H21 N3 O5 c1ccc(cc1)....
53 3N2V - JT5 C16 H18 N2 O5 S c1ccc(cc1)....
54 3F18 Kd = 39.5 nM HS5 C10 H11 F N2 O5 S c1cc(ccc1F....
55 4GR8 Ki = 14.7 nM R4C C25 H28 Br N4 O6 P C[C@@H](C(....
56 3F15 Kd = 7.88 nM HS1 C12 H16 N2 O7 S COc1ccc(cc....
57 6ELA - B9Z C24 H22 O5 S COc1ccc(cc....
58 5N5J - HAE C2 H5 N O2 CC(=O)NO
59 2OXZ - ILE ALA GLY n/a n/a
60 3LIK Ki = 1.92 nM EEG C29 H31 N3 O7 S c1ccc(cc1)....
61 5I43 - 67M C37 H47 N5 O13 S CC(C)[C@H]....
62 3F17 Kd = 2.36 nM HS4 C14 H14 N2 O4 S c1ccc(cc1)....
63 6EKN - B9N C24 H22 O7 S COc1ccc(cc....
64 5D2B - 56O C30 H32 Cl N5 O10 c1cc(cc(c1....
65 2WO8 ic50 = 0.52 uM 077 C17 H18 O3 c1ccc(cc1)....
66 1OS2 - HAE C2 H5 N O2 CC(=O)NO
67 4GR0 Ki = 0.28 nM R4B C31 H31 Br Cl N4 O6 P C[C@@H](C(....
68 2WOA ic50 = 1.15 uM 576 C18 H18 O3 c1ccc-2c(c....
69 3LK8 Kd = 19.7 nM Z79 C9 H12 N2 O5 S COc1ccc(cc....
70 5L79 Ki = 0.9 nM R47 6PJ n/a n/a
71 3F1A Kd = 61.1 nM HS7 C8 H8 N2 O4 S c1ccc(cc1)....
72 5N5K - HAE C2 H5 N O2 CC(=O)NO
73 2WO9 ic50 = 0.062 uM 068 C19 H20 O4 CC(=O)c1cc....
74 3LJG Ki = 18.6 nM EEF C25 H29 N3 O7 c1ccc(cc1)....
75 5I3M - 67F C28 H38 N4 O9 S2 CC(C)[C@@H....
76 1RMZ - NGH C13 H20 N2 O5 S CC(C)C[N@]....
77 3LIL Ki = 8.3 nM EEA C28 H29 Cl N4 O8 c1cc(cc(c1....
78 4I03 - L88 C58 H66 N4 O11 S2 c1ccc(cc1)....
79 1ROS ic50 = 0.0017 uM DEO C28 H25 N O6 CCOc1ccc(c....
80 5CXA - 55L C30 H31 Cl N4 O10 c1cc(cc(c1....
81 5I2Z - V24 C34 H41 N5 O12 S CC(C)[C@H]....
82 1JK3 - BAT C23 H31 N3 O4 S2 CC(C)C[C@H....
83 3LIR Ki = 119 nM EEC C22 H26 N4 O8 c1ccc(cc1)....
84 3TS4 Ki = 1.9 nM EEG C29 H31 N3 O7 S c1ccc(cc1)....
85 3KEJ Ki = 75.9 nM 3EJ C22 H17 F N6 O3 c1cc(cc(c1....
86 4L19 Ki = 0.8 uM 1UA C15 H16 N2 O S Cc1ccc(cc1....
87 5BOT ic50 = 39 uM 4UM C12 H12 N2 O3 CCOC(=O)c1....
88 3KRY ic50 = 0.1 nM 3KR C22 H23 F3 N2 O7 S COCCN1CCC(....
89 1XUD ic50 = 8 nM PB4 C22 H20 F2 N4 O2 Cc1cc(ccc1....
90 3I7I ic50 = 620 nM 518 C29 H29 N3 O5 CNC(=O)[C@....
91 3WV1 ic50 = 0.0039 nM WHH C26 H22 F N3 O6 COc1cccc(c....
92 5BPA ic50 = 0.001 uM 4UF C24 H22 N4 O5 CCOC(=O)c1....
93 4JPA ic50 = 3.3 nM AZ6 C21 H23 N7 O5 S C[C@]1(C(=....
94 5B5O ic50 = 1900 nM WMM C12 H11 N5 S2 c1ccc(cc1)....
95 2OW9 ic50 = 30 nM SP6 C21 H16 N2 O4 S c1ccc(cc1)....
96 3ELM Ki = 0.19 nM 24F C23 H30 N2 O7 S2 CCOc1ccc(c....
97 1CXV - CBP C19 H20 Cl N O6 S c1cc(ccc1O....
98 4A7B - 3W5 C27 H30 N2 O5 S c1cc(ccc1C....
99 3WV2 ic50 = 12 nM WGG C17 H15 N3 O3 COc1cccc(c....
100 4JP4 - AZ4 C19 H23 F4 N7 O5 S c1c(cnc(n1....
101 2OZR ic50 = 0.67 nM GG1 C26 H20 N2 O4 CN1c2ccc(c....
102 5UWK Ki = 2.3 nM 8OM C25 H27 N3 O5 S2 CC(C)[C@@H....
103 1YOU ic50 = 0.87 nM PFD C20 H19 F N2 O6 CCOCCC1(C(....
104 830C Ki = 0.52 nM RS1 C19 H20 Cl N O6 S c1cc(ccc1O....
105 5BOY ic50 = 2.5 uM 4UE C15 H15 N3 O2 CCOC(=O)c1....
106 3I7G ic50 = 430 nM 732 C20 H23 Cl N2 O3 CNC(=O)[C@....
107 1XUC ic50 = 72 nM PB3 C22 H22 N4 O2 Cc1cccc(c1....
108 1ZTQ ic50 = 1.3 nM 033 C26 H24 N2 O6 S CC(C)[C@@H....
109 456C Ki = 0.17 nM CBP C19 H20 Cl N O6 S c1cc(ccc1O....
110 1XUR ic50 = 6600 nM PB5 C18 H16 N6 O2 c1cc(cnc1)....
111 2D1N Ki = 0.007 uM FA4 C24 H42 N6 O3 [H]/N=C(/N....
112 3KEC ic50 = 58 nM 3KE C24 H21 N5 O4 COc1ccc(cc....
113 5UWM ic50 = 356 nM 8OA C25 H28 N4 O4 S CC(C)[C@H]....
114 3TVC Ki = 18 nM E3P C26 H26 N2 O4 c1ccc(cc1)....
115 3ZXH - E41 C20 H28 N2 O4 S CC(C)CCN([....
116 3KEK Ki = 4.4 nM 3EK C24 H26 F N5 O3 Cc1cc(cc(n....
117 3WV3 ic50 = 24 nM WLL C15 H13 N3 O3 S COc1cccc(c....
118 2YIG ic50 = 79.4 nM 5EL C28 H27 N3 O3 c1cc(ccc1C....
119 5B5P ic50 = 0.2 nM WNN C20 H18 N6 O3 S c1ccc2c(c1....
120 3LJZ Ki = 7.3 nM LA3 C27 H26 N2 O6 c1ccc2c(c1....
121 6HV2 - ILE MET ILE SER PHE n/a n/a
122 1MNC - PLH C18 H27 N3 O4 CC(C)C[C@H....
123 3DPE ic50 = 57 nM AXB C24 H21 N5 O6 S2 c1cc2c(cc1....
124 1I76 - BSI C22 H19 N O4 S c1ccc(cc1)....
125 1ZP5 ic50 = 1200 uM 2NI C17 H17 N3 O3 CN(CCOc1cc....
126 1JAP - PRO LEU GLY HOA n/a n/a
127 2OY2 - ILE ALA GLY n/a n/a
128 1I73 - PRO LEU PAT n/a n/a
129 3DNG ic50 = 7.4 nM AXA C22 H21 N5 O5 S c1cc2c(cc1....
130 1JAO Ki = 1.2 uM 0D3 C15 H21 N3 O3 S NULL
131 1ZS0 Ki = 0.7 uM EIN C17 H22 N O6 P S CC(C)[C@@H....
132 1BZS ic50 = 10 nM BSI C22 H19 N O4 S c1ccc(cc1)....
133 1JAQ Ki = 33 uM 01S C12 H22 N4 O5 NULL
134 1KBC - HLE RIN n/a n/a
135 1JAN - PRO LEU GLY HOA n/a n/a
136 5H8X ic50 = 3.1 uM 7FY C18 H15 N O4 S c1ccc(cc1)....
137 1MMB - BAT C23 H31 N3 O4 S2 CC(C)C[C@H....
138 3DPF - AXB C24 H21 N5 O6 S2 c1cc2c(cc1....
139 1JJ9 ic50 = 1700 nM BBT C17 H21 N3 O4 c1ccc(cc1)....
140 1ZVX Ki = 0.6 nM FIN C17 H22 N O6 P S CC(C)[C@H]....
141 3TT4 Ki = 5.3 nM E1S C19 H22 N2 O4 S Cc1ccc(s1)....
142 1MMQ Ki = 0.03 uM RRS C25 H36 N4 O4 CC(C)C[C@H....
143 2Y6C ic50 = 0.0001 M TQI C18 H14 Cl F3 N2 O4 S c1ccc2c(c1....
144 1MMP Ki = 0.85 uM RSS C25 H35 N3 O4 CC(C)C[C@H....
145 1MMR Ki = 4 uM SRS C25 H39 N5 O2 S CC(C)C[C@H....
146 4JQG - 8MC PRO LEU GLY PFF DNW ALA ARG NH2 n/a n/a
147 1GKC - NFH C15 H29 N3 O4 CC(C)C[C@H....
148 5I12 ic50 = 1200 nM H27 C34 H42 N4 O12 S2 CC(C)[C@H]....
149 1GKD - STN BUM n/a n/a
150 2OW0 - 6MR C23 H19 I N2 O4 S c1ccc2c(c1....
151 4WZV ic50 = 0.43 nM E40 C28 H29 N3 O8 S CC(C)ON([C....
152 2OVX - 4MR C24 H22 N6 O4 c1ccc(cc1)....
153 6ESM - B9Z C24 H22 O5 S COc1ccc(cc....
154 4JIJ - 8MC PRO LEU GLY PHI DNW ALA ARG NH2 n/a n/a
155 4XCT ic50 = 6.7 nM N73 C20 H24 N2 O5 S CC(C)[C@H]....
156 2OW1 - 7MR C16 H15 F3 N2 O5 S c1ccc(cc1)....
157 2OVZ - 5MR C30 H29 N4 O5 P c1ccc(cc1)....
158 1CGL Ki = 135 nM 0ED C33 H47 N5 O7 NULL
159 966C Ki = 23 nM RS2 C19 H21 N O6 S c1ccc(cc1)....
160 2TCL ic50 = 9 nM RO4 C19 H35 N3 O6 CCOC(=O)[C....
161 1HFC - PLH C18 H27 N3 O4 CC(C)C[C@H....
162 5UE4 Kd = 3.3 uM 5XQ C16 H16 N4 O2 S2 Cc1c(sc(n1....
163 1RM8 - BAT C23 H31 N3 O4 S2 CC(C)C[C@H....
164 1Q3A - NGH C13 H20 N2 O5 S CC(C)C[N@]....
165 5H0U - HIS HIS HIS HIS HIS HIS n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: SER TRP PHE PRO; Similar ligands found: 78
No: Ligand ECFP6 Tc MDL keys Tc
1 SER TRP PHE PRO 1 1
2 MET TYR TRP TYR PRO TYR 0.578125 0.797101
3 PHE SER ASP PRO TRP GLY GLY 0.560606 0.967742
4 GLU PHE SER PRO 0.542056 0.868852
5 ALA LEU TRP GLY PHE PHE PRO VAL LEU 0.539007 0.846154
6 MDL 0.529915 0.7
7 ACE TRP ARG VAL PRO 0.52 0.771429
8 TRP PRO TRP 0.509091 0.883333
9 ARG PHE PRO LEU THR PHE GLY TRP 0.506579 0.819444
10 ALA PRO ALA TRP LEU PHE GLU ALA 0.503546 0.818182
11 GLY SER ASP PRO TRP LYS 0.5 0.951613
12 SER PRO LEU ASP SER LEU TRP TRP ILE 0.496403 0.895522
13 ALA TRP ARG HIS PRO GLN PHE GLY GLY 0.49359 0.797101
14 SER VAL TYR ASP PHE PHE VAL TRP LEU 0.485075 0.695652
15 ARG PHE PRO LEU THR PHE GLY TRP CYS PHE 0.484663 0.797297
16 ARG TYR PRO LEU THR PHE GLY TRP 0.484277 0.797297
17 PHE ALA PRO GLY ASN TYR PRO ALA TRP 0.48366 0.84058
18 ASN ASP TRP LEU LEU PRO SER TYR 0.483221 0.857143
19 ACE ASN PRO ASP TRP ASP PHE ASN NH2 0.480315 0.809524
20 ASN ASP LYS TYR GLU PRO PHE TRP GLU 0.475 0.878788
21 ALA VAL PRO TRP 0.474576 0.84127
22 ASP ASN ARG LEU GLY LEU VAL TYR TRP PHE 0.474576 0.636364
23 ALA LEU TRP GLY PHE VAL PRO VAL LEU 0.472973 0.846154
24 LEU ASN PHE PRO ILE SER PRO 0.472441 0.823529
25 ALA TRP VAL ILE PRO ALA 0.471545 0.772727
26 MET TRP ARG PRO TRP 0.471429 0.736111
27 SER ASN TRP SER HIS PRO GLN PHE GLU LYS 0.470968 0.952381
28 ASN GLN DPR TRP GLN 0.469231 0.854839
29 ARG TYR PRO LEU THR LEU GLY TRP CYS PHE 0.467456 0.776316
30 SER ARG ARG TRP ARG ARG TRP ASN ARG 0.464 0.753623
31 LYS TRP LYS 0.463636 0.783333
32 ASP TRP ASN 0.462963 0.666667
33 LYS ARG LYS SER ARG TRP ASP GLU THR PRO 0.4625 0.830986
34 ILE ARG TYR PRO LYS THR PHE GLY TRP 0.455621 0.797297
35 GLY PHE GLU PRO 0.455357 0.803279
36 ASP GLU ASP LYS TRP ASP ASP PHE 0.452381 0.774194
37 PHE PRO ARG PRO TRP LEU HIS GLY LEU 0.450617 0.753425
38 ARG TYR PRO LEU THR PHE GLY TRP CYS PHE 0.447674 0.763158
39 ALA ALA TRP LEU PHE GLU ALA 0.439394 0.646154
40 ALA TRP LEU PHE GLU ALA 0.4375 0.646154
41 IPF 0.433824 0.818182
42 GLY PHE ARG PRO 0.428571 0.731343
43 SER SER VAL VAL GLY VAL TRP TYR LEU 0.428571 0.710145
44 GLU PRO GLN ALA PRO TRP MET GLU GLN 0.425676 0.757143
45 PHE LEU TRP GLY PRO ARG ALA LEU VAL 0.425 0.774648
46 TRP GLU TYR ILE PRO ASN VAL 0.424837 0.814286
47 ALA ASN SER ARG TRP PRO THR THR ARG LEU 0.424837 0.797297
48 ARG LEU TRP SER 0.420635 0.685714
49 GLU ASP ASN ASP TRP ASN 0.418182 0.666667
50 TRP ASN TRP PHE ASP ILE THR ASN LYS 0.416667 0.676471
51 ABA SER LEU TRP ASN GLY PRO HIS LEU 0.416667 0.855072
52 TYR PRO PHE PHE NH2 0.415254 0.809524
53 TRP LEU PHE VAL GLN ARG ASP SER LYS GLU 0.413793 0.609375
54 ACE ASN TRP GLU THR PHE 0.413534 0.686567
55 ALA ASN SER ARG TRP PRO ALY SER ILE ILE 0.413174 0.786667
56 MET SER LEU PRO GLY ARG TRP LYS PRO LYS 0.412791 0.776316
57 ILE ASP TRP PHE ASP GLY LYS ASP 0.412587 0.742424
58 ALA ASN SER ARG TRP PRO THR SER FAK ILE 0.411765 0.75641
59 ALA SER LEU ASN LEU PRO ALA VAL SER TRP 0.411765 0.880597
60 SER SER VAL ILE GLY VAL TRP TYR LEU 0.410959 0.7
61 PHE LEU PRO SER ASP PHE PHE PRO SER VAL 0.410072 0.878788
62 TYR TRP ALA ALA ALA ALA 0.409836 0.630769
63 PRO ALA TRP LEU PHE GLU ALA 0.409722 0.753846
64 LYS VAL PRO ARG ASN GLN ASP TRP LEU 0.409639 0.767123
65 ACE PRO TRP ALA THR CYS ASP SER NH2 0.408163 0.867647
66 ARG GLN PHE GLY PRO ASP TRP ILE VAL ALA 0.408046 0.777778
67 ALA LEU TRP GLY PRO ASP PRO ALA ALA ALA 0.407895 0.833333
68 PRO ARG PRO ILE LEU LEU PRO TRP ARG NH2 0.407895 0.722222
69 SER LEU PHE HIS 22G THR PRO 0.407643 0.842857
70 GLY GLU GLU TRP GLY PRO TRP VAL NH2 0.407143 0.859375
71 PRO GLN PHE SER LEU TRP LYS ARG 0.405594 0.815385
72 AZL 0.404959 0.7
73 ALA ASN SER ARG TRP PRO THR SER ALY ILE 0.404762 0.776316
74 ACE PHE HIS PRO ALA NH2 0.404762 0.769231
75 GLY LEU MET TRP LEU SER TYR PHE VAL 0.40411 0.708333
76 ASP PHE ALA ASN THR PHE LEU PRO 0.402878 0.808824
77 LYS GLN TRP LEU VAL TRP LEU PHE LEU 0.4 0.738462
78 MET HIS PRO ALA GLN THR SER GLN TRP 0.4 0.819444
Similar Ligands (3D)
Ligand no: 1; Ligand: SER TRP PHE PRO; Similar ligands found: 0
No: Ligand Similarity coefficient
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 with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4in9.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
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