Receptor
PDB id Resolution Class Description Source Keywords
2PCU 1.6 Å EC: 3.4.17.- HUMAN CARBOXYPEPTIDASE A4 IN COMPLEX WITH A CLEAVED HEXAPEPT HOMO SAPIENS METALLOCARBOXYPEPTIDASE; METALLOPROTEASE; PRODUCT; CLEAVAGE;SPECIFICITY; HUMAN CARBOXYPEPTIDASE A4 HYDROLASE
Ref.: CAUGHT AFTER THE ACT: A HUMAN A-TYPE METALLOCARBOXY IN A PRODUCT COMPLEX WITH A CLEAVED HEXAPEPTIDE. BIOCHEMISTRY V. 46 6921 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ASP B:6;
Valid;
none;
submit data
133.103 C4 H7 N O4 C([C@...
GOL A:501;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
NAG A:901;
Invalid;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
PHE ASN ARG PRO VAL B:1;
Valid;
none;
submit data
632.743 n/a O=C([...
SCN A:502;
Invalid;
none;
submit data
58.082 C N S C(#N)...
ZN A:999;
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
2PCU 1.6 Å EC: 3.4.17.- HUMAN CARBOXYPEPTIDASE A4 IN COMPLEX WITH A CLEAVED HEXAPEPT HOMO SAPIENS METALLOCARBOXYPEPTIDASE; METALLOPROTEASE; PRODUCT; CLEAVAGE;SPECIFICITY; HUMAN CARBOXYPEPTIDASE A4 HYDROLASE
Ref.: CAUGHT AFTER THE ACT: A HUMAN A-TYPE METALLOCARBOXY IN A PRODUCT COMPLEX WITH A CLEAVED HEXAPEPTIDE. BIOCHEMISTRY V. 46 6921 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2PCU - PHE ASN ARG PRO VAL n/a n/a
70% Homology Family (17)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3CPA - GLY TYR n/a n/a
2 1F57 Ki = 2.3 uM DCY C3 H7 N O2 S C([C@H](C(....
3 1CPS Ki = 0.22 uM CPM C11 H16 N2 O2 S CS(=N)(=N)....
4 2CTC Ki = 0.13 mM HFA C9 H10 O3 c1ccc(cc1)....
5 2RFH Ki = 0.15 uM 23N C10 H11 N O4 c1ccc(cc1)....
6 1HDQ Ki = 1.5 uM INF C10 H12 N2 O4 c1ccc(cc1)....
7 1IY7 Ki = 0.65 uM CXA C9 H12 N2 O4 S c1ccc(cc1)....
8 3FX6 Ki = 0.16 uM BPX C12 H15 N O6 c1ccc(cc1)....
9 8CPA Ki = 710 pM AGF C21 H25 N2 O8 P C[C@@H](C(....
10 1HEE Ki = 4.6 uM LHY C10 H12 N2 O4 c1ccc(cc1)....
11 1HDU Ki = 19 uM ING C10 H12 N2 O3 c1ccc(cc1)....
12 7CPA Ki = 11 fM FVF C30 H35 N2 O8 P CC(C)[C@H]....
13 6CPA Ki = 3 pM ZAF C22 H27 N2 O8 P C[C@@H](C(....
14 1CBX Ki = 0.45 uM BZS C11 H12 O4 c1ccc(cc1)....
15 1PCA - VAL C5 H11 N O2 CC(C)[C@@H....
16 2PCU - PHE ASN ARG PRO VAL n/a n/a
17 2V77 Ki = 8.7 uM PAY C12 H18 O8 C[C@@H](C[....
50% Homology Family (46)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 181 families.
1 1NSA - BEN C7 H8 N2 [H]/N=C(c1....
2 4UIB ic50 = 0.001 uM GWX C26 H46 N4 O4 C[C@@]12CC....
3 2PIZ ic50 = 170 nM 606 C19 H24 N3 O4 P [H]/N=C(/N....
4 5LRG - 73N DLY VAL 73O MAA PHE n/a n/a
5 1ZG7 - P20 C10 H12 Cl N3 O2 S c1cc(c(cc1....
6 2PJ4 ic50 = 13 nM 414 C24 H31 N4 O7 P [H]/N=C(/N....
7 2PJ8 ic50 = 18 nM 17A C26 H31 N2 O6 P S CC(C)[C@H]....
8 4UIA ic50 = 0.19 uM FH9 C21 H40 N4 O4 CC(C)CCNC(....
9 2PJ9 ic50 = 12 nM 281 C20 H25 N4 O6 P S2 CC(C)[C@H]....
10 1ZG9 - L06 C7 H15 N3 O2 S C(C[C@@H](....
11 2JEW Ki = 206 nM 720 C12 H21 N3 O2 CCCn1cc(nc....
12 2PJ5 ic50 = 15 nM 11B C23 H31 N4 O7 P [H]/N=C(/N....
13 3WC5 - DDK C8 H17 N O2 Se C(CC[C@@H]....
14 2PJC ic50 = 1.9 nM 343 C30 H36 N5 O9 P [H]/N=C(/N....
15 2PJA ic50 = 2.2 nM 33Z C31 H38 N5 O7 P [H]/N=C(/N....
16 1ZG8 - L98 C10 H13 N3 O2 S c1cc(cc(c1....
17 3WC7 - EF1 C21 H35 N2 O5 P CC(C)[C@H]....
18 2PJ2 ic50 = 12 nM 864 C22 H29 N2 O6 P CC(C)[C@H]....
19 5LRK - 73N DLY IIL 73O MAA PHE n/a n/a
20 2PJ3 ic50 = 6.6 nM 86A C22 H29 N4 O6 P [H]/N=C(/N....
21 2PIY ic50 = 20 nM 528 C23 H33 N2 O6 P S CC(C)[C@H]....
22 2PJ0 ic50 = 8.1 nM 922 C21 H27 N4 O7 P [H]/N=C(/N....
23 3WAB - DDW C8 H17 N O2 S C(CC[C@@H]....
24 2PJB ic50 = 19 nM 983 C31 H40 N3 O8 P S CC(C)[C@H]....
25 2PJ1 ic50 = 9.7 nM 578 C21 H27 N2 O7 P CC(C)[C@H]....
26 5LRJ - 73P DLY VAL 73O MAA PHE n/a n/a
27 2PJ6 ic50 = 49 nM 059 C22 H31 N2 O6 P S CC(C)[C@H]....
28 2PJ7 ic50 = 17 nM 235 C20 H27 N2 O6 P S CC(C)[C@H]....
29 3CPA - GLY TYR n/a n/a
30 1F57 Ki = 2.3 uM DCY C3 H7 N O2 S C([C@H](C(....
31 1CPS Ki = 0.22 uM CPM C11 H16 N2 O2 S CS(=N)(=N)....
32 2CTC Ki = 0.13 mM HFA C9 H10 O3 c1ccc(cc1)....
33 2RFH Ki = 0.15 uM 23N C10 H11 N O4 c1ccc(cc1)....
34 1HDQ Ki = 1.5 uM INF C10 H12 N2 O4 c1ccc(cc1)....
35 1IY7 Ki = 0.65 uM CXA C9 H12 N2 O4 S c1ccc(cc1)....
36 3FX6 Ki = 0.16 uM BPX C12 H15 N O6 c1ccc(cc1)....
37 8CPA Ki = 710 pM AGF C21 H25 N2 O8 P C[C@@H](C(....
38 1HEE Ki = 4.6 uM LHY C10 H12 N2 O4 c1ccc(cc1)....
39 1HDU Ki = 19 uM ING C10 H12 N2 O3 c1ccc(cc1)....
40 7CPA Ki = 11 fM FVF C30 H35 N2 O8 P CC(C)[C@H]....
41 6CPA Ki = 3 pM ZAF C22 H27 N2 O8 P C[C@@H](C(....
42 1CBX Ki = 0.45 uM BZS C11 H12 O4 c1ccc(cc1)....
43 1PCA - VAL C5 H11 N O2 CC(C)[C@@H....
44 4P10 - 2B8 C14 H23 N3 O2 CCCn1cnc2c....
45 2PCU - PHE ASN ARG PRO VAL n/a n/a
46 2V77 Ki = 8.7 uM PAY C12 H18 O8 C[C@@H](C[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ASP; Similar ligands found: 32
No: Ligand ECFP6 Tc MDL keys Tc
1 ASP 1 1
2 DAS 1 1
3 ASN 0.636364 0.793103
4 SER 0.545455 0.714286
5 DBB 0.545455 0.692308
6 2RA 0.545455 0.689655
7 ABA 0.545455 0.692308
8 DSN 0.545455 0.714286
9 DCY 0.521739 0.703704
10 CYS 0.521739 0.703704
11 C2N 0.521739 0.666667
12 SD4 0.5 0.648649
13 DGL 0.481481 0.846154
14 GLU 0.481481 0.846154
15 GGL 0.481481 0.846154
16 DAB 0.48 0.612903
17 HSE 0.48 0.758621
18 LEU 0.461538 0.642857
19 AS2 0.461538 0.916667
20 HCS 0.461538 0.655172
21 CSO 0.461538 0.6875
22 NVA 0.461538 0.62069
23 API 0.461538 0.75
24 CSS 0.444444 0.633333
25 CSD 0.444444 0.615385
26 11C 0.433333 0.814815
27 UN1 0.433333 0.814815
28 GLN 0.428571 0.7
29 DGN 0.428571 0.7
30 NPI 0.40625 0.785714
31 NCD 0.4 0.705882
32 ONL 0.4 0.7
Ligand no: 2; Ligand: PHE ASN ARG PRO VAL; Similar ligands found: 175
No: Ligand ECFP6 Tc MDL keys Tc
1 PHE ASN ARG PRO VAL 1 1
2 DPN PRO ARG 0.584906 0.870968
3 PHE ASN PHE PRO GLN ILE THR 0.584 0.771429
4 ALA ASN SER ARG PHE PRO THR SER ILE ILE 0.568345 0.884058
5 DPN PRO DAR ILE NH2 0.560345 0.859375
6 DPN PRO DAR DTH NH2 0.560345 0.861538
7 GLY PHE ARG PRO 0.558559 0.903226
8 PHE GLN PRO GLN ASN GLY GLN PHE ILE 0.548872 0.820895
9 DPN PRO DAR CYS NH2 0.547826 0.84127
10 LEU ASN PHE PRO ILE SER PRO 0.544 0.8
11 PRO LYS ARG PRO THR THR LEU ASN LEU PHE 0.537415 0.884058
12 ARG SEP PRO VAL PHE SER 0.536765 0.805556
13 PHE SER HIS PRO GLN ASN THR 0.533333 0.774648
14 ARG PRO GLY ASN PHE PHE GLN SER ARG PRO 0.531469 0.830986
15 PHE PRO ARG 0.527273 0.83871
16 PHE LEU PRO SER ASP PHE PHE PRO SER VAL 0.527132 0.760563
17 ARG ARG LEU PRO ILE PHE SER ARG LEU 0.514286 0.869565
18 ASN ARG PRO ILE LEU SER LEU 0.511628 0.882353
19 ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 0.509804 0.861111
20 ARG PRO GLN VAL PRO LEU ARG PRO MET 0.50365 0.814286
21 GLN PRO PRO VAL PRO PRO GLN ARG PRO MET 0.50365 0.814286
22 SER HIS PRO ARG PRO ILE ARG VAL 0.503597 0.84507
23 ARG PRO GLY ASN PHE LEU GLN SER ARG PRO 0.5 0.871429
24 LEU GLN ARG VAL LEU SEP ALA PRO PHE 0.496454 0.808219
25 ARG GLN PHE GLY PRO ASP PHE PRO THR ILE 0.493506 0.833333
26 GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.493151 0.882353
27 ARG MET PHE PRO ASN ALA PRO TYR LEU 0.490066 0.805195
28 ALA ASN SER ARG ALY PRO THR SER ILE ILE 0.489655 0.819444
29 SER ALA PRO ASP THR ARG PRO ALA 0.484848 0.828571
30 LYS GLN GLU PRO GLN GLU ILE ASP PHE 0.482517 0.8
31 ASP ARG VAL TYR ILE HIS PRO PHE 0.481013 0.835616
32 SER SER TYR ARG ARG PRO VAL GLY ILE 0.479452 0.821918
33 TRP MET ASP PHE ASP ASP ASP ILE PRO PHE 0.474576 0.78125
34 TRP ASP ILE PRO PHE 0.474576 0.78125
35 ALA PRO ASP THR ARG PRO ALA PRO 0.472868 0.84058
36 VAL PRO LEU ARG PRO MET THR TYR 0.472603 0.8
37 ARG PRO ARG PRO ASP ASP LEU GLU ILE 0.471014 0.865672
38 MAA LYS PRO PHE 0.470588 0.71875
39 LEU PRO PHE ASP ARG THR THR ILE MET 0.470199 0.835616
40 PHE ALA PRO GLY ASN TYI PRO ALA LEU 0.469388 0.717949
41 PHE ALA PRO GLY ASN TYR PRO ALA LEU 0.468966 0.767123
42 GLY SER ASP PRO PHE LYS 0.468254 0.761194
43 ASN ARG PRO VAL TYR ILE PRO ARG PRO PRO 0.468085 0.802817
44 GLN ASN TYR PRO ILE VAL GLN 0.466667 0.797101
45 ALA ASN SER ARG TYR PRO THR SER ILE ILE 0.466216 0.847222
46 SER THR SEP PRO THR PHE ASN LYS 0.466216 0.743243
47 ARG PRO GLY ASN PHE LEU GLN SER SER PRO 0.464516 0.884058
48 LEU PHE GLY TYR PRO VAL TYR VAL 0.464286 0.742857
49 ASP VAL GLN THR GLY ARG ARG PRO TYR GLU 0.463576 0.871429
50 TYR GLN PHE GLY PRO ASP PHE PRO ILE ALA 0.461039 0.726027
51 PHE PRO ARG PRO TRP LEU HIS GLY LEU 0.459627 0.857143
52 TYR MET ASP PHE ASP ASP ASP ILE PRO PHE 0.459459 0.734375
53 TYR MET PHE PRO ASN ALA PRO TYR LEU 0.459459 0.714286
54 LYS VAL PRO ARG ASN GLN ASP TRP LEU 0.459119 0.898551
55 ARG PRO GLY ASN PHE LEU GLN SER ARG LEU 0.458065 0.884058
56 LEU LEU PHE GLY LYS PRO VAL TYR VAL 0.456376 0.732394
57 LEU PRO PHE GLU ARG ALA THR VAL MET 0.455128 0.859155
58 ALA ASN SER ARG ALA PRO THR SER ILE ILE 0.453901 0.842857
59 PHE LEU TRP GLY PRO ARG ALA LEU VAL 0.452229 0.855072
60 ARG PRO PRO GLY PHE SER PRO PHE ALA 0.452055 0.814286
61 ILE ARG ALA ALA PRO PRO PRO LEU PHE 0.451389 0.852941
62 LYS PRO ILE VAL GLN TYR ASP ASN PHE 0.45098 0.753425
63 MET TRP ARG PRO TRP 0.450704 0.739726
64 GLN VAL PRO LEU ARG PRO MET THR TYR LYS 0.450617 0.813333
65 LEU SER SER PRO VAL THR LYS SER PHE 0.45 0.768116
66 ALA PRO ASP THR ARG PRO 0.449612 0.84058
67 PRO PRO ARG PRO ILE TYR ASN ARG ASN 0.44898 0.84507
68 TYR LEU LYS GLU PRO VAL HIS GLY VAL 0.448052 0.760563
69 CYS THR PRO SER ARG 0.448 0.823529
70 PHE TYR ARG TYR GLY PHE VAL ALA ASN PHE 0.447761 0.685714
71 THR LYS PRO ARG 0.446429 0.825397
72 ASN TYR THR PRO GLY PRO GLY THR ARG PHE 0.44586 0.847222
73 LYS PRO PHE PTR VAL ASN VAL NH2 0.445205 0.723684
74 VAL MET ALA PRO ARG THR LEU PHE LEU 0.443709 0.833333
75 GLU PTR LEU GLY LEU ASP VAL PRO VAL 0.443478 0.793651
76 ALA ASN SER ARG TRP PRO THR SER FAK ILE 0.443114 0.782051
77 TYR PRO LYS ARG ILE ALA 0.442857 0.814286
78 PHE GLU ASP ASN PHE VAL PRO 0.442748 0.848485
79 LEU LEU PHE GLY TYR PRO VAL TYR VAL 0.442177 0.742857
80 LEU LEU PHE GLY PHE PRO VAL TYR VAL 0.442177 0.742857
81 LYS PRO PHE PTR VAL ASN VAL GLU PHE 0.441558 0.736842
82 ARG PRO LYS PRO LEU VAL ASP PRO 0.440945 0.818182
83 GLN LEU SER PRO PHE PRO PHE ASP LEU 0.440559 0.771429
84 ILE THR ASP GLN VAL PRO PHE SER VAL 0.439189 0.797101
85 SER ASP ILE LEU PHE PRO ALA ASP SER 0.438849 0.794118
86 ALA ASN SER ARG VAL PRO THR SER ILE ILE 0.437956 0.84058
87 PHE TYR ALA PRO GLU PRO ILE THR SER LEU 0.437909 0.710526
88 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 0.437086 0.69863
89 GLY HIS ARG PRO 0.435484 0.861538
90 ASN TYR THR PRO GLY PRO GLY ILE ARG PHE 0.434783 0.810811
91 ARG VAL ALA SER PRO THR SER GLY VAL 0.434783 0.880597
92 ARG PHE PRO LEU THR PHE GLY TRP 0.434783 0.847222
93 TYR LEU GLU PRO GLY PRO VAL THR VAL 0.434483 0.760563
94 LEU ASP PRO ARG 0.434426 0.904762
95 DTY ILE ARG LEU LPD 0.433824 0.826087
96 TYR LEU GLU PRO ALA PRO VAL THR ALA 0.432624 0.736111
97 TYR PRO ASN VAL ASN ILE HIS ASN PHE 0.432258 0.756757
98 SER PRO LYS ARG ILE ALA 0.431818 0.823529
99 ARG ARG ARG GLU ARG SER PRO THR ARG 0.430657 0.838235
100 PHE PRO THR LYS ASP VAL ALA LEU 0.430556 0.779412
101 ALA ASN SER ARG TRP PRO THR THR ARG LEU 0.430556 0.833333
102 TYR LEU GLY GLY PRO ASP PHE PRO THR ILE 0.43038 0.72973
103 ALA ASN SER ARG TRP PRO THR SER 2KK ILE 0.430233 0.772152
104 ARG PRO PRO GLY PHE SER PRO PHE ARG 0.42963 0.818182
105 ARG ABA PHE ILE PHE ALA ASN ILE 0.428571 0.742424
106 LYS THR PHE PRO PRO THR GLU PRO LYS 0.428571 0.764706
107 LEU PRO PHE GLU ARG ALA THR ILE MET 0.428571 0.847222
108 ILE MET ASP GLN VAL PRO PHE SER VAL 0.427632 0.763889
109 SER PHE PHE GLU ASP ASN PHE VAL PRO GLU 0.427536 0.811594
110 GLY PHE GLU PRO 0.42735 0.774194
111 LYS GLY PRO PRO LEU PRO ARG PRO ARG VAL 0.426357 0.818182
112 ASN PRO ARG ALA MET GLN ALA LEU LEU 0.425532 0.867647
113 GLU GLU ASN LEU LEU ASP PHE VAL ARG PHE 0.425532 0.746269
114 ARG ILE PRO SER TYR ARG TYR ARG TYR 0.424658 0.773333
115 ARG PRO LYS ARG ILE ALA 0.424242 0.833333
116 TYR SEP PRO THR SEP PRO SER 0.424242 0.675325
117 ALA ILE MET PRO ALA ARG PHE TYR PRO LYS 0.424242 0.74026
118 TYR PRO SER LYS PRO ASP ASN PRO GLY GLU 0.424242 0.71831
119 GLY TYR GLN ASP TYR GLU PRO GLU ALA 0.424242 0.746269
120 ARG LEU TYR GLN ASN PRO THR THR TYR ILE 0.424051 0.824324
121 ARG GLY PRO GLY ARG ALA PHE VAL THR ILE 0.424051 0.884058
122 LYS PRO VAL LEU ARG THR ALA 0.423358 0.865672
123 ALA ASN SER ARG TRP PRO THR SER 2KP ILE 0.422857 0.772152
124 ASP ARG VAL GLU LEU ASN ALA PRO ARG GLN 0.422535 0.923077
125 PHE ALA PRO GLY ASN TYR PRO ALA TRP 0.42236 0.743243
126 TYR LEU GLU PRO GLY PRO VAL THR ALA 0.421769 0.760563
127 THR PRO PRO SER PRO PHE 0.420635 0.724638
128 PRO ARG ARG PRO VAL ILE MET ARG ARG 0.41958 0.760563
129 ARG TYR PRO LEU THR PHE GLY TRP 0.419162 0.824324
130 ARG ABA VAL ILE PHE ALA ASN ILE 0.419118 0.78125
131 ALA TRP ARG HIS PRO GLN PHE GLY GLY 0.418182 0.852941
132 GLY LEU LEU GLY SER PRO VAL ARG ALA 0.417266 0.878788
133 LYS ARG ARG ARG HIS PRO SER 0.417266 0.782609
134 GLU PHE SER PRO 0.415254 0.769231
135 VAL VAL ARG PRO GLY SER LEU ASP LEU PRO 0.414474 0.855072
136 VAL ORN LEU DPN PRO VAL ORN LEU DPN PRO 0.414286 0.705882
137 SER SER PHE TYR PRO SEP ALA GLU GLY 0.413793 0.653846
138 ALA CYS SEP PRO GLN PHE GLY 0.412587 0.736111
139 PHE SER ASP PRO TRP GLY GLY 0.412162 0.708333
140 GLU GLY PRO ARG ASN GLN ASP TRP LEU 0.411043 0.898551
141 ALA PRO GLN PRO ALA PRO GLU ASN ALA TYR 0.410959 0.771429
142 PHE ALA PRO GLY PHE PHE PRO TYR LEU 0.410959 0.712329
143 VAL SER GLN ASN TYR PRO ILE VAL GLN ASN 0.410959 0.763889
144 TRP GLU TYR ILE PRO ASN VAL 0.410256 0.743243
145 HIS HIS ALA SER PRO ARG LYS 0.409396 0.811594
146 ARG TYR GLY PHE VAL ALA ASN PHE 0.408451 0.73913
147 LYS ARG ARG ARG HIS PRO SER GLY 0.408451 0.826087
148 GLU PRO GLY GLY SER ARG 0.407692 0.848485
149 ARG PRO MET THR PHE LYS GLY ALA LEU 0.407407 0.847222
150 ASN ASP LYS TYR GLU PRO PHE TRP GLU 0.407186 0.69863
151 ALA THR PRO PHE GLN GLU 0.40678 0.753846
152 GLY TYR GLU ASN PRO THR TYR LYS PHE PHE 0.406452 0.760563
153 ILE LEU LYS GLU PRO VAL HIS GLY VAL 0.406452 0.791045
154 LYS LEU PRO ALA GLN PHE TYR ILE LEU 0.406452 0.722222
155 ALA ASN SER ARG TRP PRO THR SER ALY ILE 0.40625 0.776316
156 ASN TRP SER HIS PRO GLN PHE GLU LYS 0.40411 0.772727
157 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.403974 0.71831
158 ASP PHE GLU GLU ILE PRO GLU GLU TYS 0.403974 0.619048
159 ILE GLY PRO GLY ARG ALA PHE TYR ALA 0.403846 0.816901
160 ARG GLN PHE GLY PRO ASP TRP ILE VAL ALA 0.403409 0.857143
161 AZL 0.403226 0.704225
162 ACE PHE HIS PRO ALA NH2 0.403101 0.731343
163 GLY VAL VAL ALA SER GLN PRO ALA ARG VAL 0.402985 0.815385
164 ACE GLN GLU ARG GLU VAL PRO CYS 0.402878 0.876923
165 GLN ARG SER THR SEP THR PRO ASN VAL HIS 0.402685 0.808219
166 ARG VAL ALA SEP PRO THR SER GLY VAL 0.402685 0.808219
167 ALA PRO SER PTR VAL ASN VAL GLN ASN 0.402685 0.74026
168 ILE GLY PRO GLY ARG ALA PHE TYR THR ILE 0.402439 0.833333
169 ARG GLN TRP GLY PRO ASP PRO ALA ALA VAL 0.402367 0.882353
170 ARG PHE PRO LEU THR PHE GLY TRP CYS PHE 0.402299 0.824324
171 ARG PRO PRO LYS PRO ARG PRO ARG 0.401515 0.769231
172 ARG ILE ILE PRO ARG HIS LEU GLN LEU 0.401274 0.867647
173 PHE CYS HIS PRO GLN ASN THR NH2 0.4 0.757143
174 PRO ARG PRO ILE LEU LEU PRO TRP ARG NH2 0.4 0.8
175 PRO GLN ILE ILE ASN ARG PRO GLN ASN 0.4 0.863636
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2PCU; Ligand: PHE ASN ARG PRO VAL; Similar sites found: 10
This union binding pocket(no: 1) in the query (biounit: 2pcu.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3VRV YSD 0.04076 0.41446 1.47601
2 5BU2 AMP 0.01197 0.42145 1.96721
3 3V1S 0LH 0.01197 0.40159 2.62295
4 4YJK URA 0.00382 0.42505 2.77778
5 2YFT DQR 0.01625 0.40194 3.93443
6 3AMN CBK 0.02168 0.40887 4.15094
7 1DB1 VDX 0.02641 0.41182 4.2471
8 2OFW ADX 0.01327 0.41364 8.65385
9 5E7V M7E 0.01506 0.421 11
10 4A38 BZS 0.0001878 0.5018 21.9672
Pocket No.: 2; Query (leader) PDB : 2PCU; Ligand: ASP; Similar sites found: 35
This union binding pocket(no: 2) in the query (biounit: 2pcu.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1ZGD NAP 0.01134 0.42739 1.63934
2 1EBG PAH 0.007368 0.42282 1.63934
3 3PQB VGP 0.01135 0.41704 1.63934
4 2PTZ PAH 0.01184 0.40872 1.63934
5 4J4H NAI 0.03983 0.41346 1.9305
6 3NTY 5P3 0.02914 0.41749 1.96721
7 5IXJ THR 0.03781 0.40957 1.96721
8 1ODM ASV 0.01209 0.4204 2.62295
9 4S00 AKR 0.00735 0.41664 2.62295
10 3CV7 C2U 0.03539 0.41112 2.62295
11 1BGQ RDC 0.02669 0.40555 2.66667
12 3OJF IMJ 0.01788 0.42983 3.11284
13 2WYV NAD 0.02307 0.41259 3.44828
14 5JFS 6K0 0.02052 0.42384 3.60656
15 4K33 ACP 0.01136 0.41348 3.60656
16 3NFZ 3NF 0.0007595 0.4362 3.93443
17 1K3A ACP 0.01357 0.40153 4.01338
18 4GJ3 0XP 0.03004 0.40659 4.30464
19 4UTW RFW 0.007753 0.41774 4.36681
20 4D42 W0I 0.03432 0.42081 4.96454
21 4D42 NAP 0.03432 0.42081 4.96454
22 2PT9 2MH 0.01178 0.43252 5.2459
23 1QG6 NAD 0.01418 0.43704 5.36398
24 1QG6 TCL 0.01418 0.43704 5.36398
25 4J7Q B7N 0.02831 0.41239 6.22951
26 4PXE GLV 0.01132 0.40518 6.22951
27 2BGS NDP 0.007695 0.43867 7.21311
28 5FQK 6NT 0.01545 0.40024 8.17844
29 3SAO NKN 0.01364 0.40362 10
30 5D2R 56W 0.00001005 0.47003 10.1639
31 3ZW2 GLA NAG GAL FUC 0.01159 0.41116 11.4943
32 3ZW2 NAG GAL FUC 0.008545 0.40886 11.4943
33 3CV6 HXS 0.03722 0.41085 13.4426
34 4HMT NNV 0.02988 0.40301 14.2222
35 4A38 BZS 0.00002383 0.54268 21.9672
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