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(=...
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: 10
No: Ligand ECFP6 Tc MDL keys Tc
1 BOC ALA ALA PRO GLU 1 1
2 BOC ALA ALA PRO PVA 0.531915 0.822581
3 BOC ALA ALA PRO PVA LAC ALA 0.490741 0.822581
4 SIN ALA ALA PRO PHE NIT 0.45 0.657534
5 SIN ALA ALA PRO LYS 0.435644 0.803571
6 PRO GLU PRO THR ALA PRO PRO GLU GLU 0.416 0.777778
7 LYS PRO LYS 0.414894 0.767857
8 PRO GLU ALA THR ALA PRO PRO GLU GLU 0.41129 0.777778
9 SER GLU CYS THR THR PRO CYS 0.408696 0.75
10 ACE ALA PRO ALA 0.404494 0.8
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: 83
This union binding pocket(no: 1) in the query (biounit: 1hpg.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3MMG GLU THR VAL ARG PHE GLN SER ASP 0.00001263 0.56019 2.13904
2 2AIQ BEN 0.001757 0.41482 2.6738
3 3P8N L4T 0.0004528 0.47923 2.68817
4 4O97 NTX 0.00003144 0.53897 3.20856
5 4YOI 4F4 0.0003004 0.47942 3.20856
6 5X8G S0N 0.02012 0.42356 3.20856
7 2GCE RFC 0.04211 0.40358 3.20856
8 5KF6 NAD 0.03028 0.4014 3.20856
9 1YRO GDU 0.0361 0.40262 3.25203
10 4YLU R30 0.0002428 0.4814 3.74332
11 1O5E 132 0.0003866 0.46697 3.74332
12 2XCF BBQ 0.0003167 0.44265 3.74332
13 1RE8 BD2 0.02772 0.41387 3.74332
14 3H4V DVP 0.02967 0.4115 3.74332
15 2DM6 NAP 0.042 0.40016 4.27807
16 5JWI ARG GLU 0.000001 0.59284 4.81283
17 5FAH 5VT 0.00001349 0.54535 4.81283
18 2BDG PBZ 0.0000312 0.48817 4.93274
19 4PVV HO4 0.03949 0.40155 4.93827
20 1IAU ACE ILE GLU PRO ASJ 0.00001478 0.53534 5.34759
21 4D8N 0HM 0.00001709 0.54051 5.88235
22 5A8Y VBM 0.00002036 0.53436 5.88235
23 3N7O N7O 0.00008033 0.51923 5.88235
24 5JXF ARG ASP 0.0000294 0.51857 5.88235
25 1T32 OHH 0.0000376 0.51652 6.41711
26 4UP3 FAD 0.02137 0.4171 6.41711
27 3ITJ FAD 0.03417 0.41302 6.95187
28 5NB7 8NQ 0.0001333 0.50268 7.48663
29 2EC9 24X 0.00005065 0.52695 8
30 1ELE 0QN 0.000005074 0.57287 8.02139
31 3UTU 1TS 0.00002346 0.55766 8.02139
32 1EB1 ZAL PRO MMO 0.00002285 0.5532 8.02139
33 2ANM CDO 0.0000228 0.54368 8.02139
34 3VXE DPN PRO ARG 0.00001962 0.53767 8.02139
35 1TMT DPN PRO ARG 0.00002256 0.53227 8.02139
36 1SL3 170 0.00007795 0.51382 8.02139
37 1D9I 00P 0.0002116 0.49701 8.02139
38 1UTJ ABN 0.0003334 0.48163 8.02139
39 3KEE 30B 0.0003315 0.47963 8.02139
40 1D3D BZT 0.0003783 0.47903 8.02139
41 2ANK N12 0.0004169 0.47273 8.02139
42 1ETS MID 0.000597 0.46755 8.02139
43 1C4V IH2 0.002108 0.43963 8.02139
44 2FEQ 34P 0.001922 0.4394 8.02139
45 1O0D 163 0.002059 0.43801 8.02139
46 1NZQ 162 0.00224 0.43629 8.02139
47 2ZA5 2FF 0.004209 0.43433 8.02139
48 2FES 3SP 0.003674 0.42624 8.02139
49 2A2X NA9 0.0007056 0.42141 8.02139
50 2CN0 F25 0.008396 0.40739 8.02139
51 1PS9 NAP 0.02391 0.40048 8.02139
52 3WOL VAL TYR 0.00001028 0.43044 8.55615
53 4NFE BEN 0.0003348 0.4348 9.09091
54 1YGC 905 0.001012 0.45672 9.52381
55 1PQ7 ARG 0.0000134 0.53732 9.62567
56 3SUD SUE 0.00039 0.4784 9.62567
57 4NWK 2R8 0.0005782 0.47224 9.62567
58 2PKA BEN 0.0006505 0.42412 10
59 5WB6 9ZM 0.000009236 0.5668 10.1604
60 5Q0F 9FA 0.00002207 0.54435 10.1604
61 1YF4 CYS TYR PHE GLN ASN CYS PRO ARG GLY NH2 0.00007059 0.52739 10.1604
62 1YKJ FAD 0.04759 0.41312 10.1604
63 1YKJ PHB 0.04759 0.41312 10.1604
64 5L2Z 70C 0.0002792 0.50551 10.3448
65 2XYA 7L4 0.00002151 0.43579 10.4396
66 1GJC 130 0.000005366 0.58228 10.6952
67 1SQA UI1 0.000009092 0.57815 10.6952
68 1XUJ BOZ 0.0001542 0.5361 10.6952
69 1FIW PBZ 0.001025 0.43852 10.6952
70 2H9E DTY ILE ARG LEU LPD 0.0001308 0.50308 13.369
71 4BTI 7R9 0.0001494 0.496 13.369
72 2P3T 993 0.0008751 0.4597 13.369
73 2VH6 GSV 0.001194 0.45718 13.369
74 1NFU RRP 0.0006516 0.45388 13.369
75 1RIW OSC 0.002239 0.4404 14.2857
76 1BHX R56 0.002806 0.43172 14.2857
77 2P8O BVA 0.004702 0.44971 15.4639
78 5TZ9 7SD 0.00324 0.42879 15.508
79 1RTF BEN 0.001603 0.40847 17.4603
80 1J17 ZEN 0.0008861 0.4528 19.2513
81 5EGM 5NY 0.001454 0.44927 20.3209
82 1OSS BEN 0.001205 0.42201 23.5294
83 2OQ5 BEN 0.001501 0.41075 34.7594
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