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Receptor
PDB id Resolution Class Description Source Keywords
4KX8 2.4 Å EC: 3.4.11.7 CRYSTAL STRUCTURE OF HUMAN AMINOPEPTIDASE A COMPLEXED WITH A HOMO SAPIENS ZINC-AMINOPEPTIDASE HYDROLASE-HYDROLASE INHIBITOR COMPLEX
Ref.: STRUCTURAL INSIGHTS INTO CENTRAL HYPERTENSION REGUL HUMAN AMINOPEPTIDASE A. J.BIOL.CHEM. V. 288 25638 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAG NAG A:1015;
A:1013;
A:1002;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
408.404 n/a O=C(N...
ZN A:1001;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
NAG NAG NAG A:1007;
A:1010;
Invalid;
Invalid;
none;
none;
submit data
611.598 n/a O=C(N...
NAG A:1005;
A:1004;
A:1006;
A:1017;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
L2O VAL VAL ASP C:1;
Valid;
none;
submit data
474.555 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4KX8 2.4 Å EC: 3.4.11.7 CRYSTAL STRUCTURE OF HUMAN AMINOPEPTIDASE A COMPLEXED WITH A HOMO SAPIENS ZINC-AMINOPEPTIDASE HYDROLASE-HYDROLASE INHIBITOR COMPLEX
Ref.: STRUCTURAL INSIGHTS INTO CENTRAL HYPERTENSION REGUL HUMAN AMINOPEPTIDASE A. J.BIOL.CHEM. V. 288 25638 2013
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4KX8 - L2O VAL VAL ASP n/a n/a
2 4KXB - BES C16 H24 N2 O4 CC(C)C[C@@....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4KX8 - L2O VAL VAL ASP n/a n/a
2 4KXB - BES C16 H24 N2 O4 CC(C)C[C@@....
50% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4FYS Kd = 15 uM VAL TYR ILE HIS PRO PHE n/a n/a
2 4FYT - L2O VAL VAL ASP n/a n/a
3 4FYR - BES C16 H24 N2 O4 CC(C)C[C@@....
4 5AB0 ic50 = 26 nM 2X0 7GA LYS HIS HIS ALA PHE SER PHE LYN n/a n/a
5 4NZ8 - ALA ALA ALA ALA ALA ALA n/a n/a
6 4NAQ - ALA ALA ALA ALA ALA ALA ALA n/a n/a
7 4OU3 Ki = 38.7 uM CYS ASN GLY ARG CYS GLY n/a n/a
8 4KX8 - L2O VAL VAL ASP n/a n/a
9 4KXB - BES C16 H24 N2 O4 CC(C)C[C@@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: L2O VAL VAL ASP; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 L2O VAL VAL ASP 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4KX8; Ligand: L2O VAL VAL ASP; Similar sites found with APoc: 105
This union binding pocket(no: 1) in the query (biounit: 4kx8.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 3DWB RDF 1.04478
2 1Y79 LYS TRP 1.32353
3 1Y79 GLY ASP 1.32353
4 4BXK 1IU 1.74881
5 5AMC GLY NIY 1.74881
6 4K90 MLA 1.86047
7 4Z87 GDP 1.90476
8 3HBV ALA LYS ALA SER GLN ALA ALA 1.94805
9 3D3X ARG ILE MET GLU NH2 2.10773
10 4CA5 3EF 2.20713
11 6FBA D48 2.29226
12 1KAP GLY SER ASN SER 2.29645
13 5L44 K26 2.34261
14 4TVD BGC 2.36486
15 4TWL ASC 2.43902
16 6BTQ E8S 2.47525
17 1ZED PNP 2.47934
18 1WS1 BB2 2.5641
19 1S17 GNR 2.77778
20 5HGZ MLA 2.88066
21 1QJI PKF 3
22 3Q2H QHF 3.0303
23 1J71 THR ILE THR SER 3.29341
24 4AR8 IP8 GLY PRO ALA 3.29949
25 5KD8 TNR 3.39893
26 5JF2 SF7 3.43137
27 1ATL 0QI 3.46535
28 4IN9 SER TRP PHE PRO 3.61446
29 3B8I OXL 3.83275
30 1YP1 LYS ASN LEU 3.9604
31 2YB9 HA0 4.05405
32 1RL4 BRR 4.25532
33 1FBL HTA 4.32432
34 3C88 ARG ARG GLY CYS NH2 4.39815
35 4EOX 0S5 4.4335
36 4JE7 BB2 4.56853
37 3AHO 3A2 4.60993
38 4DR9 BB2 4.6875
39 1R6N 434 4.73934
40 4DD8 BAT 4.80769
41 1LQY BB2 4.8913
42 1ZVX FIN 4.90798
43 3KO0 TFP 4.9505
44 2J83 BAT 4.96183
45 5W7B MYR 4.96454
46 1UUY PPI 5.38922
47 4DV8 0LX 5.51331
48 6CED EYA 5.60748
49 2FV5 541 5.74713
50 4V3I ASP LEU THR ARG PRO 5.83658
51 3UWB BB2 5.84416
52 1MMQ RRS 5.88235
53 5H0U HIS HIS HIS HIS HIS HIS 5.88235
54 2TCL RO4 5.91716
55 3G5K BB2 6.01093
56 2GWH PCI 6.04027
57 5KDX GAL TNR 6.1017
58 5UGW GSH 6.28571
59 1LH0 ORO 6.57277
60 2UV4 AMP 6.57895
61 3B5J 12D 6.58436
62 1Q1Y BB2 6.80628
63 5O7E 9NB 6.87023
64 3ZVS MLI 6.875
65 5J3R GSH 6.89655
66 3G6N MET ALA SER 7.32984
67 3HNB 768 7.54717
68 5LWY OLB 7.56302
69 1Q3A NGH 7.87879
70 1R55 097 7.94393
71 5C9J DAO 8.08081
72 2OKL BB2 8.10811
73 3WV1 WHH 8.18713
74 1BKC INN 8.20312
75 1RM8 BAT 8.28402
76 3M6P BB2 8.29016
77 2W14 WR2 8.41584
78 2V5E SCR 8.91089
79 1G27 BB1 8.92857
80 4WKI 3PW 8.93617
81 5A0R ACE GLU VAL ASN PRO 9.09091
82 4AIG FLX 9.45274
83 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 9.62343
84 1OYF MHN 9.91736
85 5TFZ 7BC 10.6667
86 3O5N BR0 10.7143
87 1KUK PCA LYS TRP 10.8374
88 5OCA 9QZ 10.9244
89 4WZV E40 11.25
90 4TMN 0PK 12.6582
91 3E3U NVC 12.6904
92 4P5Y NGA 13.1737
93 5V4R MGT 13.5802
94 4B52 RDF 15.4605
95 5ZI7 GLU 17.3423
96 5MTE BB2 17.5182
97 4QHP 32Q 17.5676
98 2ZXG S23 17.5862
99 4ZW3 4S9 17.7928
100 1B4U DHB 20.1439
101 2XQ0 BES 21.3608
102 2VJ8 HA2 22.4223
103 2VWA PTY 22.7723
104 4GAA BES 23.1527
105 1HFS L04 29.375
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