-->
Receptor
PDB id Resolution Class Description Source Keywords
1HPG 1.5 Å EC: 3.4.21.82 A GLUTAMIC ACID SPECIFIC SERINE PROTEASE UTILIZES A NOVEL HI TRIAD IN SUBSTRATE BINDING STREPTOMYCES GRISEUS SERINE PROTEASE HYDROLASE-HYDROLASE INHIBITOR COMPLEX
Ref.: A GLUTAMIC ACID SPECIFIC SERINE PROTEASE UTILIZES A HISTIDINE TRIAD IN SUBSTRATE BINDING. BIOCHEMISTRY V. 32 11469 1993
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BOC ALA ALA PRO GLU B:300;
Valid;
none;
submit data
485.514 n/a O=C(O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1HPG 1.5 Å EC: 3.4.21.82 A GLUTAMIC ACID SPECIFIC SERINE PROTEASE UTILIZES A NOVEL HI TRIAD IN SUBSTRATE BINDING STREPTOMYCES GRISEUS SERINE PROTEASE HYDROLASE-HYDROLASE INHIBITOR COMPLEX
Ref.: A GLUTAMIC ACID SPECIFIC SERINE PROTEASE UTILIZES A HISTIDINE TRIAD IN SUBSTRATE BINDING. BIOCHEMISTRY V. 32 11469 1993
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1HPG - BOC ALA ALA PRO GLU 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 1 families.
1 1HPG - BOC ALA ALA PRO GLU n/a n/a
2 5SGA - ACE PRO ALA PRO TYR n/a n/a
3 4SGA Ki = 50 nM ACE PRO ALA PRO PHE n/a n/a
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1HPG - BOC ALA ALA PRO GLU n/a n/a
2 5SGA - ACE PRO ALA PRO TYR n/a n/a
3 4SGA Ki = 50 nM ACE PRO ALA PRO PHE n/a n/a
4 2OUA - AES C8 H10 F N O2 S c1cc(ccc1C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BOC ALA ALA PRO GLU; Similar ligands found: 11
No: Ligand ECFP6 Tc MDL keys Tc
1 BOC ALA ALA PRO GLU 1 1
2 BOC ALA ALA PRO PVA 0.643678 0.84375
3 BOC ALA ALA PRO PVA LAC ALA 0.622449 0.84375
4 SER GLU CYS THR THR PRO CYS 0.429825 0.769231
5 SIN ALA ALA PRO PHE NIT 0.42623 0.675676
6 LEU PRO GLU THR GLY 0.420561 0.809524
7 PRO GLU PRO THR ALA PRO PRO GLU GLU 0.419355 0.784615
8 PRO GLU ALA THR ALA PRO PRO GLU GLU 0.414634 0.784615
9 ACE ALA PRO ALA 0.413793 0.789474
10 LYS PRO LYS 0.410526 0.762712
11 ACE PRO ALA PRO TYR 0.409524 0.727273
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1HPG; Ligand: BOC ALA ALA PRO GLU; Similar sites found with APoc: 110
This union binding pocket(no: 1) in the query (biounit: 1hpg.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 2QX0 PH2 None
2 3BIB PSF None
3 3MMG GLU THR VAL ARG PHE GLN SER ASP 2.13904
4 2OEM 1AE 2.6738
5 2AIQ BEN 2.6738
6 3P8N L4T 2.68817
7 4O97 NTX 3.20856
8 5X8G S0N 3.20856
9 4YOI 4F4 3.20856
10 2CXG GLC GLC 3.20856
11 2BHZ MAL 3.20856
12 2QE0 NAP 3.20856
13 2GCE SFC 3.20856
14 2GCE RFC 3.20856
15 5KF6 NAD 3.20856
16 1YRO GDU 3.25203
17 4YLU R30 3.74332
18 2XCF BBQ 3.74332
19 1O5E 132 3.74332
20 1RE8 BD2 3.74332
21 3H4V NAP 3.74332
22 3H4V DVP 3.74332
23 3VZS CAA 3.74332
24 1WUU ANP 3.74332
25 6B74 BEN 4.27807
26 2DM6 NAP 4.27807
27 5JWI ARG GLU 4.81283
28 5FAH 5VT 4.81283
29 4ISS TAR 4.81366
30 2BDG PBZ 4.93274
31 4PVV HO4 4.93827
32 1IAU ACE ILE GLU PRO ASJ 5.34759
33 5HV7 RBL 5.34759
34 1H5Q NAP 5.34759
35 2W5P CL8 5.36913
36 4D8N 0HM 5.88235
37 5ZFI 9C9 5.88235
38 5A8Y VBM 5.88235
39 5JXF ARG ASP 5.88235
40 5GVR LMR 5.88235
41 4TVD BGC 5.88235
42 1A0J BEN 5.88235
43 3N7O N7O 5.88235
44 1M26 GAL A2G 6.01504
45 1T32 OHH 6.41711
46 1QL9 ZEN 6.41711
47 4UP3 FAD 6.41711
48 6FLZ MMA 6.94444
49 3ITJ FAD 6.95187
50 2B7D C1B 7.23684
51 5NB7 8NQ 7.48663
52 2EC9 24X 8
53 1A2C 34H LEU PRJ OAR 8.02139
54 1EB1 ZAL PRO MMO 8.02139
55 4AX9 N5N 8.02139
56 2ANM CDO 8.02139
57 3VXE DPN PRO ARG 8.02139
58 1TMT DPN PRO ARG 8.02139
59 1SL3 170 8.02139
60 1D9I 00P 8.02139
61 2ANK N12 8.02139
62 1ETS MID 8.02139
63 1C4V IH2 8.02139
64 2FEQ 34P 8.02139
65 1O0D 163 8.02139
66 1NZQ 162 8.02139
67 2ZA5 2FF 8.02139
68 3KEE 30B 8.02139
69 2FES 3SP 8.02139
70 1UTJ ABN 8.02139
71 2A2X NA9 8.02139
72 2CN0 F25 8.02139
73 1PS9 NAP 8.02139
74 3WOL VAL TYR 8.55615
75 4NFE BEN 9.09091
76 1YGC 905 9.52381
77 1PQ7 ARG 9.62567
78 6BQK Z1E 9.62567
79 3SUD SUE 9.62567
80 2WD7 VGD 9.62567
81 2PKA BEN 10
82 5WB6 9ZM 10.1604
83 5Q0F 9FA 10.1604
84 1YF4 CYS TYR PHE GLN ASN CYS PRO ARG GLY NH2 10.1604
85 1YKJ PHB 10.1604
86 1YKJ FAD 10.1604
87 5L2Z 70C 10.3448
88 2XYA 7L4 10.4396
89 1GJC 130 10.6952
90 1SQA UI1 10.6952
91 1XUJ BOZ 10.6952
92 1FIW PBZ 10.6952
93 3GVL SLB SIA 10.6952
94 4XMF HSM 11.7647
95 2H9E DTY ILE ARG LEU LPD 13.369
96 4BTI 7R9 13.369
97 2P3T 993 13.369
98 2VH6 GSV 13.369
99 1NFU RRP 13.369
100 1RIW OSC 14.2857
101 1BHX R56 14.2857
102 2P8O BVA 15.4639
103 4ZUL UN1 17.1123
104 1RTF BEN 17.4603
105 3AB4 THR 18.1818
106 5TP0 BRN 18.1818
107 2ANY BAM 19.7861
108 5EGM 5NY 20.3209
109 1OSS BEN 23.5294
110 2OQ5 BEN 34.7594
APoc FAQ
Feedback