-->
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 (47)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 204 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 5ZEQ - 9B3 C9 H11 Cl N2 O2 Se c1c(cnc(c1....
29 2PJ7 ic50 = 17 nM 235 C20 H27 N2 O6 P S CC(C)[C@H]....
30 3CPA - GLY TYR n/a n/a
31 1F57 Ki = 2.3 uM DCY C3 H7 N O2 S C([C@H](C(....
32 1CPS Ki = 0.22 uM CPM C11 H16 N2 O2 S CS(=N)(=N)....
33 2CTC Ki = 0.13 mM HFA C9 H10 O3 c1ccc(cc1)....
34 2RFH Ki = 0.15 uM 23N C10 H11 N O4 c1ccc(cc1)....
35 1HDQ Ki = 1.5 uM INF C10 H12 N2 O4 c1ccc(cc1)....
36 1IY7 Ki = 0.65 uM CXA C9 H12 N2 O4 S c1ccc(cc1)....
37 3FX6 Ki = 0.16 uM BPX C12 H15 N O6 c1ccc(cc1)....
38 8CPA Ki = 710 pM AGF C21 H25 N2 O8 P C[C@@H](C(....
39 1HEE Ki = 4.6 uM LHY C10 H12 N2 O4 c1ccc(cc1)....
40 1HDU Ki = 19 uM ING C10 H12 N2 O3 c1ccc(cc1)....
41 7CPA Ki = 11 fM FVF C30 H35 N2 O8 P CC(C)[C@H]....
42 6CPA Ki = 3 pM ZAF C22 H27 N2 O8 P C[C@@H](C(....
43 1CBX Ki = 0.45 uM BZS C11 H12 O4 c1ccc(cc1)....
44 1PCA - VAL C5 H11 N O2 CC(C)[C@@H....
45 4P10 - 2B8 C14 H23 N3 O2 CCCn1cnc2c....
46 2PCU - PHE ASN ARG PRO VAL n/a n/a
47 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 DAS 1 1
2 ASP 1 1
3 ASN 0.636364 0.793103
4 DSN 0.545455 0.714286
5 ABA 0.545455 0.692308
6 2RA 0.545455 0.689655
7 SER 0.545455 0.714286
8 DBB 0.545455 0.692308
9 CYS 0.521739 0.703704
10 C2N 0.521739 0.666667
11 DCY 0.521739 0.703704
12 SD4 0.5 0.648649
13 GGL 0.481481 0.846154
14 DGL 0.481481 0.846154
15 GLU 0.481481 0.846154
16 DAB 0.48 0.612903
17 HSE 0.48 0.758621
18 NVA 0.461538 0.62069
19 HCS 0.461538 0.655172
20 CSO 0.461538 0.6875
21 AS2 0.461538 0.916667
22 LEU 0.461538 0.642857
23 API 0.461538 0.75
24 CSD 0.444444 0.615385
25 CSS 0.444444 0.633333
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: 171
No: Ligand ECFP6 Tc MDL keys Tc
1 PHE ASN ARG PRO VAL 1 1
2 DPN PRO ARG 0.590909 0.870968
3 PHE ASN PHE PRO GLN ILE THR 0.585938 0.771429
4 ALA ASN SER ARG PHE PRO THR SER ILE ILE 0.577465 0.884058
5 DPN PRO DAR CYS NH2 0.57265 0.857143
6 DPN PRO DAR ILE NH2 0.571429 0.859375
7 DPN PRO DAR DTH NH2 0.571429 0.876923
8 1IP CYS PHE SER LYS PRO ARG 0.568345 0.869565
9 GLY PHE ARG PRO 0.561404 0.903226
10 PRO LYS ARG PRO THR THR LEU ASN LEU PHE 0.549669 0.884058
11 LEU ASN PHE PRO ILE SER PRO 0.547619 0.8
12 PHE GLN PRO GLN ASN GLY GLN PHE ILE 0.547445 0.820895
13 PHE LEU PRO SER ASP PHE PHE PRO SER VAL 0.533835 0.774648
14 ARG SEP PRO VAL PHE SER 0.528571 0.805556
15 ASN ARG PRO ILE LEU SER LEU 0.519084 0.882353
16 ARG ARG LEU PRO ILE PHE SER ARG LEU 0.517483 0.869565
17 PHE PRO ARG 0.508621 0.83871
18 SER HIS PRO ARG PRO ILE ARG VAL 0.507042 0.84507
19 ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 0.506329 0.861111
20 ARG GLN PHE GLY PRO ASP PHE PRO THR ILE 0.5 0.833333
21 GLN PRO PRO VAL PRO PRO GLN ARG PRO MET 0.5 0.814286
22 ARG PRO GLY ASN PHE LEU GLN SER ARG PRO 0.496774 0.871429
23 LEU GLN ARG VAL LEU SEP ALA PRO PHE 0.493056 0.808219
24 GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.490066 0.882353
25 ALA ASN SER ARG ALY PRO THR SER ILE ILE 0.489933 0.819444
26 SER SER TYR ARG ARG PRO VAL GLY ILE 0.489796 0.821918
27 ARG MET PHE PRO ASN ALA PRO TYR LEU 0.487179 0.805195
28 ARG PRO GLN VAL PRO LEU ARG PRO MET 0.485915 0.814286
29 SER ALA PRO ASP THR ARG PRO ALA 0.485294 0.828571
30 ARG THR PHE SER PRO THR TYR GLY LEU 0.483444 0.835616
31 ALA PRO ASP THR ARG PRO ALA PRO 0.477273 0.84058
32 ALA ASN SER ARG TYR PRO THR SER ILE ILE 0.473333 0.847222
33 TYR MET ASP PHE ASP ASP ASP ILE PRO PHE 0.473214 0.765625
34 PHE PRO ARG PRO TRP LEU HIS GLY LEU 0.472727 0.857143
35 ARG PRO PRO ILE PHE ILE ARG ARG LEU 0.472603 0.865672
36 ASP VAL GLN THR GLY ARG ARG PRO TYR GLU 0.470968 0.871429
37 ALA PHE ARG ILE PRO LEU THR ARG 0.469388 0.869565
38 ARG PRO ARG PRO ASP ASP LEU GLU ILE 0.468085 0.865672
39 VAL PRO LEU ARG PRO MET THR TYR 0.466667 0.8
40 PHE LEU TRP GLY PRO ARG ALA LEU VAL 0.465839 0.855072
41 ALA ASN SER ARG ALA PRO THR SER ILE ILE 0.465278 0.842857
42 ILE GLY PRO GLY ARG ALA PHE TYR VAL 0.464516 0.830986
43 LEU PRO PHE ASP ARG THR THR ILE MET 0.464516 0.835616
44 PHE ALA PRO GLY ASN TYR PRO ALA LEU 0.463087 0.767123
45 ILE ARG ALA ALA PRO PRO PRO LEU PHE 0.462585 0.852941
46 ALA PRO ASP THR ARG PRO 0.458015 0.84058
47 TYR GLN PHE GLY PRO ASP PHE PRO ILE ALA 0.455128 0.726027
48 PHE ALA PRO GLY ASN TYI PRO ALA LEU 0.453947 0.717949
49 ARG PRO GLY ASN PHE LEU GLN SER ARG LEU 0.453416 0.897059
50 LYS GLN GLU PRO GLN GLU ILE ASP PHE 0.453333 0.815385
51 PRO PRO ARG PRO ILE TYR ASN ARG ASN 0.453333 0.84507
52 LEU LEU PHE GLY LYS PRO VAL TYR VAL 0.453333 0.736111
53 ARG PRO PRO GLY PHE SER PRO PHE ALA 0.453333 0.814286
54 CYS THR PRO SER ARG 0.453125 0.823529
55 TYR MET PHE PRO ASN ALA PRO TYR LEU 0.450331 0.714286
56 LEU PRO PHE GLU ARG ALA THR VAL MET 0.45 0.859155
57 GLN ASN TYR PRO ILE VAL GLN 0.45 0.797101
58 LYS VAL PRO ARG ASN GLN ASP TRP LEU 0.449102 0.898551
59 ASN ARG PRO VAL TYR ILE PRO ARG PRO PRO 0.44898 0.802817
60 SER THR SEP PRO THR PHE ASN LYS 0.448052 0.743243
61 TRP ASP ILE PRO PHE 0.447154 0.8125
62 TRP MET ASP PHE ASP ASP ASP ILE PRO PHE 0.447154 0.8125
63 ILE THR ASP GLN VAL PRO PHE SER VAL 0.446667 0.797101
64 VAL MET ALA PRO ARG THR LEU PHE LEU 0.445161 0.833333
65 LEU ASP PRO ARG 0.444444 0.920635
66 LEU PHE GLY TYR PRO VAL TYR VAL 0.444444 0.757143
67 MAA LYS PRO PHE 0.444444 0.765625
68 PRO ARG ARG PRO VAL ILE MET ARG ARG 0.444444 0.760563
69 TYR PRO LYS ARG ILE ALA 0.444444 0.814286
70 ALA ASN SER ARG TRP PRO ALY SER ILE ILE 0.443787 0.813333
71 ALA ASN SER ARG TRP PRO THR SER ALY ILE 0.443787 0.802632
72 ARG VAL ALA SER PRO THR SER GLY VAL 0.442857 0.880597
73 0G6 0.442623 0.833333
74 ALA ASN SER ARG TRP PRO THR SER FAK ILE 0.44186 0.782051
75 PHE GLU ASP ASN PHE VAL PRO 0.441176 0.848485
76 GLU PTR LEU GLY LEU ASP VAL PRO VAL 0.440678 0.809524
77 ALA ILE MET PRO ALA ARG PHE TYR PRO LYS 0.440476 0.74026
78 TYR LEU GLY GLY PRO ASP PHE PRO THR ILE 0.440252 0.743243
79 ALA ASN SER ARG VAL PRO THR SER ILE ILE 0.439716 0.84058
80 GLY SER ASP PRO PHE LYS 0.439394 0.776119
81 SER PRO LYS ARG ILE ALA 0.439394 0.835821
82 ASN TYR THR PRO GLY PRO GLY THR ARG PHE 0.438272 0.847222
83 GLN VAL PRO LEU ARG PRO MET THR TYR LYS 0.43787 0.813333
84 ALA ASN SER ARG TRP PRO THR THR ARG LEU 0.4375 0.849315
85 TYR LEU LYS GLU PRO VAL HIS GLY VAL 0.4375 0.774648
86 LYS PRO ILE VAL GLN TYR ASP ASN PHE 0.436709 0.767123
87 ILE GLY PRO GLY ARG ALA PHE TYR THR 0.436709 0.805556
88 MET TRP ARG PRO TRP 0.436242 0.739726
89 PHE TYR ALA PRO GLU PRO ILE THR SER LEU 0.435897 0.723684
90 ILE MET ASP GLN VAL PRO PHE SER VAL 0.435065 0.763889
91 LYS PRO PHE PTR VAL ASN VAL NH2 0.433333 0.736842
92 GLY MET PRO ARG GLY ALA 0.432836 0.811594
93 ALA ASN SER ARG HIS PRO THR SER ILE ILE 0.432432 0.819444
94 ASN TYR THR PRO GLY PRO GLY ILE ARG PHE 0.430303 0.824324
95 ARG ARG ARG GLU ARG SER PRO THR ARG 0.429577 0.838235
96 GLY LEU LEU GLY SER PRO VAL ARG ALA 0.429577 0.878788
97 ILE GLY PRO GLY ARG ALA PHE TYR ALA 0.429487 0.816901
98 TYR PRO ASN VAL ASN ILE HIS ASN PHE 0.429487 0.756757
99 ALA ASN SER ARG TRP PRO THR SER 2KK ILE 0.429379 0.772152
100 PRO GLN ILE ILE ASN ARG PRO GLN ASN 0.428571 0.863636
101 ALA ASN SER ARG LEU PRO THR SER ILE ILE 0.428571 0.84058
102 ARG PHE PRO LEU THR PHE GLY TRP 0.427711 0.847222
103 ARG ILE PRO SER TYR ARG TYR ARG TYR 0.427586 0.773333
104 DTY ILE ARG LEU LPD 0.427536 0.826087
105 LEU PRO PHE GLU ARG ALA THR ILE MET 0.426829 0.847222
106 TYR LEU GLU PRO GLY PRO VAL THR VAL 0.426667 0.774648
107 LEU LEU PHE GLY TYR PRO VAL TYR VAL 0.426667 0.757143
108 LEU LEU PHE GLY PHE PRO VAL TYR VAL 0.426667 0.757143
109 SER ASP ILE LEU PHE PRO ALA ASP SER 0.426573 0.808824
110 LEU SER SER PRO VAL THR LYS SER PHE 0.425676 0.768116
111 ARG PRO PRO GLY PHE 0.425373 0.830769
112 5JP PRO LYS ARG ILE ALA 0.425197 0.797101
113 ACE GLN GLU ARG GLU VAL PRO CYS 0.423358 0.876923
114 ASN TRP SER HIS PRO GLN PHE GLU LYS 0.423358 0.768116
115 ALA ASN SER ARG TRP PRO THR SER 2KP ILE 0.422222 0.772152
116 ASP ARG VAL GLU LEU ASN ALA PRO ARG GLN 0.421769 0.923077
117 ARG GLN PRO ALA LYS ALA PRO LEU LEU 0.421769 0.850746
118 ARG ABA VAL ILE PHE ALA ASN ILE 0.421429 0.78125
119 HIS HIS ALA SER PRO ARG LYS 0.421053 0.811594
120 LYS GLY PRO PRO LEU PRO ARG PRO ARG VAL 0.421053 0.818182
121 SER PRO ILE VAL PRO SER PHE ASP MET 0.421053 0.743243
122 THR PRO PRO SER PRO PHE 0.420635 0.73913
123 ARG ABA PHE ILE PHE ALA ASN ILE 0.42029 0.742424
124 THR LYS PRO ARG 0.420168 0.825397
125 ARG LEU TYR GLN ASN PRO THR THR TYR ILE 0.419753 0.824324
126 VAL VAL ARG PRO GLY SER LEU ASP LEU PRO 0.419355 0.855072
127 ILE GLY PRO GLY ARG ALA PHE TYR THR ILE 0.418182 0.833333
128 TYR LEU GLU PRO ALA PRO VAL THR ALA 0.417808 0.75
129 ASN PRO ARG ALA MET GLN ALA LEU LEU 0.417808 0.882353
130 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 0.416667 0.712329
131 LYS PRO PHE PTR VAL ASN VAL GLU PHE 0.416149 0.75
132 PHE ALA PRO GLY ASN TYR PRO ALA TRP 0.415663 0.743243
133 GLU GLU ASN LEU LEU ASP PHE VAL ARG PHE 0.414966 0.746269
134 ARG GLY PRO GLY CYS ALA PHE VAL THR ILE 0.414634 0.884058
135 PHE PRO THR LYS ASP VAL ALA LEU 0.414474 0.808824
136 ARG ILE ILE PRO ARG HIS LEU GLN LEU 0.414013 0.867647
137 GLY PHE GLU PRO 0.413223 0.806452
138 TYR SEP PRO THR SEP PRO SER 0.411765 0.688312
139 TYR PRO PHE PHE NH2 0.41129 0.681159
140 ARG PRO MET THR PHE LYS GLY ALA LEU 0.410714 0.847222
141 ARG VAL ALA SEP PRO THR SER GLY VAL 0.410596 0.808219
142 LYS THR PHE PRO PRO THR GLU PRO LYS 0.410596 0.794118
143 ARG PRO LYS PRO LEU VAL ASP PRO 0.410448 0.818182
144 ARG TYR PRO LEU THR PHE GLY TRP 0.410405 0.824324
145 ARG PRO LYS ARG ILE ALA 0.410072 0.833333
146 LYS PRO VAL LEU ARG THR ALA 0.409722 0.865672
147 GLN LEU SER PRO PHE PRO PHE ASP LEU 0.409396 0.760563
148 TYR LEU GLU PRO GLY PRO VAL THR ALA 0.407895 0.774648
149 PHE SER ASP PRO TRP GLY GLY 0.407895 0.722222
150 PRO PRO PRO VAL PRO PRO ARG ARG ARG ARG 0.407407 0.830769
151 PRO ALA ILE ILE ASN ARG PRO GLN ASN 0.407143 0.863636
152 PHE SER ALA PTR PRO SER GLU GLU ASP 0.406897 0.666667
153 GLU PHE SER PRO 0.406504 0.784615
154 VAL PRO PRO PRO ARG PRO PRO PRO PRO GLU 0.406015 0.818182
155 SER PHE PHE GLU ASP ASN PHE VAL PRO GLU 0.405594 0.811594
156 MET CYS PRO ARG MET THR ALA VAL MET 0.405229 0.805556
157 ILE LEU LYS GLU PRO VAL HIS GLY VAL 0.405063 0.80597
158 ALA THR PRO PHE GLN GLU 0.404959 0.769231
159 GLU GLY PRO ARG ASN GLN ASP TRP LEU 0.404762 0.898551
160 GLY LEU LEU GLY SEP PRO VAL ARG ALA 0.403974 0.805556
161 ALA PRO ASP SER ARG PRO A2G 0.403846 0.776316
162 GLY TYR GLU ASN PRO THR TYR LYS PHE PHE 0.403727 0.75
163 TRP GLU TYR ILE PRO ASN VAL 0.403727 0.743243
164 ILE ARG TYR PRO LYS THR PHE GLY TRP 0.403315 0.8
165 HIS PRO PHE 0.403226 0.742424
166 VAL SER GLN ASN TYR PRO ILE VAL GLN ASN 0.402685 0.763889
167 ALA PRO GLN PRO ALA PRO GLU ASN ALA TYR 0.402685 0.771429
168 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.402597 0.732394
169 ARG GLN TRP GLY PRO ASP PRO ALA ALA VAL 0.402299 0.882353
170 ARG TYR GLY PHE VAL ALA ASN PHE 0.401361 0.73913
171 ALA CYS SEP PRO GLN PHE GLY 0.401361 0.736111
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 with APoc: 21
This union binding pocket(no: 1) in the query (biounit: 2pcu.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 5BU2 AMP 1.96721
2 3V1S 0LH 2.62295
3 4YJK URA 2.77778
4 5T0K SAM 2.84698
5 2ZRU FMN 2.95082
6 1QIN GIP 3.27869
7 1I52 CTP 3.38983
8 3NFZ 3NF 3.93443
9 2YFT DQR 3.93443
10 3AMN CBI 4.15094
11 3AMN CBK 4.15094
12 1DB1 VDX 4.2471
13 5HSA FAS 6.55738
14 5Y24 GLY MET PRO ARG GLY ALA 6.88525
15 2ZXI FAD 6.88525
16 2AJH MET 8.16327
17 2OFW ADX 8.65385
18 4Z87 GDP 9.18033
19 5D2R 56W 10.1639
20 5E7V M7E 11
21 4A38 BZS 21.9672
Pocket No.: 2; Query (leader) PDB : 2PCU; Ligand: ASP; Similar sites found with APoc: 96
This union binding pocket(no: 2) in the query (biounit: 2pcu.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 5FII PHE None
2 4Q9N NAI 1.34228
3 1ZGD NAP 1.63934
4 3PQB VGP 1.63934
5 1EBG PAH 1.63934
6 2PTZ PAH 1.63934
7 2AL2 2PG 1.63934
8 2AL2 PEP 1.63934
9 4J4H NAI 1.9305
10 1V35 NAI 1.96721
11 3NTY 5P3 1.96721
12 6AMI TRP 1.96721
13 2FCU AKG 1.96721
14 5H5A 6OU 2.08333
15 1HG4 LPP 2.50896
16 4O1M NAD 2.62295
17 3H7R NAP 2.62295
18 1ODM ASV 2.62295
19 1P7L ANP 2.62295
20 1ZQ5 NAP 2.62295
21 1ZQ5 E04 2.62295
22 1P7L MET 2.62295
23 3CV7 C2U 2.62295
24 5YS9 FAD 2.62295
25 4S00 AKR 2.62295
26 3WG6 NDP 2.62295
27 1BGQ RDC 2.66667
28 1D7O NAD 2.6936
29 1D7O TCL 2.6936
30 5C1P ADP 2.95082
31 4NV7 COA 2.95082
32 2VQ5 HBA 2.98507
33 3OJF NDP 3.11284
34 3OJF IMJ 3.11284
35 2HFN FMN 3.26797
36 3O3R NAP 3.27869
37 5AZ1 NDP 3.27869
38 3FP0 FP0 3.27869
39 2WYV NAD 3.44828
40 1VBJ NAP 3.55872
41 4K33 ACP 3.60656
42 3NFZ 3NF 3.93443
43 3HMO STU 3.93443
44 5U6C 7YS 3.93443
45 4NDN SAM 3.93443
46 2PVF ACP 3.93443
47 1K3A ACP 4.01338
48 6FOF LAT 4.08163
49 1VA6 P2S 4.2623
50 1VA6 ADP 4.2623
51 4UTW RFW 4.36681
52 5CG1 NAD BBN 4.59016
53 5Y9D FAD 4.59016
54 6D61 4AA 4.61538
55 1MI3 NAD 4.91803
56 4ZCW 4NG 4.91803
57 1M7Y PPG 4.91803
58 4D42 NAP 4.96454
59 4D42 W0I 4.96454
60 5FBN 5WF 5.16605
61 2RDQ AKG 5.20833
62 2PT9 2MH 5.2459
63 5Z6T NAP 5.2459
64 1QG6 TCL 5.36398
65 1QG6 NAD 5.36398
66 3CL7 HYN 5.57377
67 3QT6 2P0 5.72289
68 5I7S E9P 5.7971
69 5I7S NAD 5.7971
70 1YKD CMP 5.90164
71 4J7Q B7N 6.22951
72 4PXE GLV 6.22951
73 6CDG PRO GLY LEU TRP LYS SER 6.58683
74 1WN3 HXC 6.61765
75 2BGS NDP 7.21311
76 5TVA COA 7.5
77 5VM0 9EG 7.8125
78 5FQK 6NT 8.17844
79 3KRB NAP 8.52459
80 2XCG XCG 8.52459
81 3TAY MN0 8.58896
82 5BRT CH9 8.85246
83 4LWU 20U 9.41177
84 3SAO NKN 10
85 5D2R 56W 10.1639
86 4J36 1HR 10.8197
87 2V92 ATP 11.4943
88 3ZW2 GLA NAG GAL FUC 11.4943
89 3ZW2 NAG GAL FUC 11.4943
90 4IJR NDP 12.459
91 1NNU TCT 13.3333
92 1NNU NAD 13.3333
93 3CV6 HXS 13.4426
94 4HMT NNV 14.2222
95 1VP5 NAP 19.7987
96 4A38 BZS 21.9672
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