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Receptor
PDB id Resolution Class Description Source Keywords
1CEB 2.07 Å EC: 3.4.21.7 THE STRUCTURE OF THE NON-COVALENT COMPLEX OF RECOMBINANT KRI DOMAIN OF HUMAN PLASMINOGEN WITH AMCHA (TRANS-4- A MINOMETHYLCYCLOHEXANE-1-CARBOXYLIC ACID) HOMO SAPIENS SERINE PROTEASE
Ref.: CRYSTAL STRUCTURES OF THE RECOMBINANT KRINGLE 1 DOM HUMAN PLASMINOGEN IN COMPLEXES WITH THE LIGANDS EPSILON-AMINOCAPROIC ACID AND TRANS-4-(AMINOMETHYL)CYCLOHEXANE-1-CARBOXYLIC ACID. BIOCHEMISTRY V. 35 2567 1996
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AMH A:90;
B:90;
Valid;
Valid;
none;
none;
Ki ~ 1 uM
157.21 C8 H15 N O2 C1CC(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1CEB 2.07 Å EC: 3.4.21.7 THE STRUCTURE OF THE NON-COVALENT COMPLEX OF RECOMBINANT KRI DOMAIN OF HUMAN PLASMINOGEN WITH AMCHA (TRANS-4- A MINOMETHYLCYCLOHEXANE-1-CARBOXYLIC ACID) HOMO SAPIENS SERINE PROTEASE
Ref.: CRYSTAL STRUCTURES OF THE RECOMBINANT KRINGLE 1 DOM HUMAN PLASMINOGEN IN COMPLEXES WITH THE LIGANDS EPSILON-AMINOCAPROIC ACID AND TRANS-4-(AMINOMETHYL)CYCLOHEXANE-1-CARBOXYLIC ACID. BIOCHEMISTRY V. 35 2567 1996
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1CEA Kd ~ 11 uM ACA C6 H13 N O2 C(CCC(=O)O....
2 1CEB Ki ~ 1 uM AMH C8 H15 N O2 C1CC(CCC1C....
3 4CIK - XO3 C15 H18 N2 O2 c1ccc(cc1)....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1CEA Kd ~ 11 uM ACA C6 H13 N O2 C(CCC(=O)O....
2 1CEB Ki ~ 1 uM AMH C8 H15 N O2 C1CC(CCC1C....
3 4CIK - XO3 C15 H18 N2 O2 c1ccc(cc1)....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 3KIV Kd = 20 uM ACA C6 H13 N O2 C(CCC(=O)O....
2 2PK4 - ACA C6 H13 N O2 C(CCC(=O)O....
3 1CEA Kd ~ 11 uM ACA C6 H13 N O2 C(CCC(=O)O....
4 1CEB Ki ~ 1 uM AMH C8 H15 N O2 C1CC(CCC1C....
5 4CIK - XO3 C15 H18 N2 O2 c1ccc(cc1)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AMH; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 AMH 1 1
2 L14 0.52 0.615385
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1CEB; Ligand: AMH; Similar sites found with APoc: 88
This union binding pocket(no: 1) in the query (biounit: 1ceb.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 4MNS 2AX None
2 2H29 DND None
3 2X32 OTP None
4 1WPV HIS None
5 1NZY BCA None
6 5DJU FMN None
7 1WUB OTP None
8 4TW7 37K None
9 4BJ8 BTN None
10 2YJ0 420 None
11 1F9A ATP None
12 4B7P 9UN None
13 1W2D ADP 2.27273
14 1W2D 4IP 2.27273
15 1ZP9 ATP 2.27273
16 1ZTH ADP 2.27273
17 2IF8 ADP 3.40909
18 4I3V NAD 3.40909
19 1EWJ BLM 3.40909
20 2CVZ NDP 3.40909
21 1ZB6 DIN 4.54545
22 5KNK 11A 4.54545
23 1SMR PIV HIS PRO PHE HIS LPL TYR TYR SER 5.68182
24 4MOB COA 5.68182
25 1MJJ HAL 5.68182
26 4O9S 2RY 5.68182
27 4LWA Q13 5.68182
28 2GCE RFC 5.68182
29 2GCE SFC 5.68182
30 5DX9 T6P 5.68182
31 6GEH FAD 5.68182
32 3D2Y AH0 ALA FGA LYS 5.68182
33 1EWF PC1 6.81818
34 2IFW ACE PHE LYS PHE PSA LEU AAR 6.81818
35 1UNB AKG 6.81818
36 1UNB PN1 6.81818
37 3AMN CBI 6.81818
38 3AMN CBK 6.81818
39 3KFC 61X 6.81818
40 4M8D 23J 6.81818
41 3CH6 311 6.81818
42 3CH6 NAP 6.81818
43 1G51 AMO 6.81818
44 2ZX7 ZX7 6.81818
45 4XU6 TDA 6.81818
46 6GG9 FMN 6.81818
47 3T64 DU3 6.81818
48 1ED4 IPU 7.95455
49 1XNK XS2 7.95455
50 2ZPA ADP 7.95455
51 6GKV F2W 7.95455
52 4PNI KQQ 7.95455
53 1KDK DHT 7.95455
54 5ISY NAD 7.95455
55 2OAZ I96 7.95455
56 1H6W SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 7.95455
57 5J6D 6H5 7.95455
58 5KLP IHP 7.95455
59 4YHB FAD 9.09091
60 2ACO VCA 9.09091
61 3DEK RXD 9.09091
62 6HQD SRT 9.09091
63 5L01 6Z4 9.09091
64 1H8P PC 9.09091
65 4JKV 1KS 10.2273
66 3HDY FAD 11.3636
67 3HDY GDU 11.3636
68 3HDY FDA 11.3636
69 5UXH GFB 11.3636
70 2HZY DHJ 11.3636
71 3IPQ 965 12
72 3SXN COA 12.5
73 2FR3 REA 12.5
74 4QA8 PJZ 12.5
75 4ZL4 4PK 12.5
76 3GJB AKG 12.5
77 1EXB NDP 12.5
78 4JTA NAP 12.5
79 1VPM COA 13.6364
80 1MEX RAC 13.6364
81 2E27 AB0 14.2857
82 3EM0 CHD 14.7727
83 6BE3 NAG 14.7727
84 5HR5 FLC 14.7727
85 2YOH WMJ 14.7727
86 5ZTN CUR 15.9091
87 2GC0 PAN 25
88 1H4H XYP XYS XYP 30.6818
Pocket No.: 2; Query (leader) PDB : 1CEB; Ligand: AMH; Similar sites found with APoc: 50
This union binding pocket(no: 2) in the query (biounit: 1ceb.bio2) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 2V0U FMN None
2 2HO2 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU None
3 4U44 3D9 None
4 5ZCT ANP None
5 4JH6 FCN None
6 1JXZ BCA None
7 1OXO IK2 2.27273
8 1TZD ADP 2.27273
9 2WU6 DKI 3.40909
10 5FPX GLY SER SER HIS HIS HIS HIS HIS 3.40909
11 4B1M FRU FRU 3.40909
12 5DMZ ADP 3.40909
13 2WLG SOP 4.54545
14 1ZB6 GST 4.54545
15 3SJH LAR 5.68182
16 2FXU ATP 5.68182
17 1LC8 33P 5.68182
18 5DJT FMN 6.55738
19 5MY8 RXZ 6.81818
20 1I7L ATP 6.81818
21 5WL1 CUY 6.81818
22 5WL1 D3D 6.81818
23 2A4W BLM 6.81818
24 4PXD 1AL 6.81818
25 5DQ8 FLF 6.81818
26 5CXX FER 6.81818
27 5KXQ GDP 6.81818
28 4MKF AP5 7.37327
29 5C0C ARG GLN PHE GLY PRO ASP TRP ILE VAL ALA 7.95455
30 1RM0 NAI 7.95455
31 4RVU NDP 7.95455
32 3UXL CFI 7.95455
33 4XGU ADP 7.95455
34 1N5S ADL 9.09091
35 3ITA AIC 9.09091
36 1UNH IXM 9.09091
37 4K3H 1OM 9.09091
38 2Z6D FMN 9.09091
39 3PD6 PMP 10.2273
40 3PDB PMP 10.2273
41 4ONQ SFG 10.2273
42 6HTO MET 11.3636
43 6HTO 5AD 11.3636
44 4TMN 0PK 12.5
45 2WKQ FMN 12.5
46 5AMH EF2 12.5
47 4RKC PMP 13.6364
48 2R2N PMP 14.7727
49 5DKK FMN 20.4545
50 3D91 REM 23.8636
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