Receptor
PDB id Resolution Class Description Source Keywords
5T63 2.5 Å EC: 3.-.-.- THE HHOA PROTEASE FROM SYNECHOCYSTIS SP. PCC 6803 SYNECHOCYSTIS SP. PCC 6803 SUBSTR. KAZORGANISM_TAXID: 1111708 PROTEASE PDZ DOMAIN HYDROLASE
Ref.: THE HHOA PROTEASE FROM SYNECHOCYSTIS SP. PCC 6803 -INSIGHTS INTO STRUCTURE AND ACTIVITY REGULATION. J. STRUCT. BIOL. V. 198 147 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:401;
Invalid;
none;
submit data
24.305 Mg [Mg+2...
ALA ALA ALA ALA C:1;
Valid;
none;
submit data
302.331 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5T63 2.5 Å EC: 3.-.-.- THE HHOA PROTEASE FROM SYNECHOCYSTIS SP. PCC 6803 SYNECHOCYSTIS SP. PCC 6803 SUBSTR. KAZORGANISM_TAXID: 1111708 PROTEASE PDZ DOMAIN HYDROLASE
Ref.: THE HHOA PROTEASE FROM SYNECHOCYSTIS SP. PCC 6803 -INSIGHTS INTO STRUCTURE AND ACTIVITY REGULATION. J. STRUCT. BIOL. V. 198 147 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 218 families.
1 5T63 - ALA ALA ALA ALA n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 176 families.
1 5T63 - ALA ALA ALA ALA n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 143 families.
1 5T63 - ALA ALA ALA ALA n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ALA ALA ALA ALA; Similar ligands found: 16
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA ALA ALA ALA 1 1
2 ALA ALA ALA ALA ALA ALA ALA 1 1
3 ALA ALA ALA ALA ALA ALA 1 1
4 ALA ALA ALA 0.966667 1
5 DAL DAL 0.741935 0.84
6 ALA ALA 0.741935 0.84
7 ALA ALA ALA ALA SER ALA ALA 0.681818 0.694444
8 ALA ALA LEU ALA ALA LEU LEU ALA ALA 0.652174 0.806452
9 ALA THR ALA ALA 0.627907 0.833333
10 ALA ALA ALA ALA ALA 0.615385 0.92
11 ASP GLN ILE ILE 0.48 0.833333
12 VAL THR SER VAL VAL 0.444444 0.675676
13 MET VAL GLY GLY VAL VAL ILE ALA 0.44186 0.724138
14 ALA LEU ALA LEU 0.431373 0.806452
15 ALA ILE ALA VAL 0.423077 0.806452
16 ALA ALA SER ALA SER ALA 0.415094 0.648649
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5T63; Ligand: ALA ALA ALA ALA; Similar sites found: 157
This union binding pocket(no: 1) in the query (biounit: 5t63.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2JEN GLC GLC BGC XYS BGC XYS 0.00001445 0.51869 0.766284
2 2JEN GLC GLC XYS XYS 0.000004509 0.5128 0.766284
3 1SAY PYR 0.0004394 0.48243 1.38504
4 1WKL ATP 0.00008439 0.47429 1.45985
5 1WKL ADP 0.0007015 0.43225 1.45985
6 1K97 ASP 0.02427 0.40027 1.63488
7 1K97 CIR 0.02427 0.40027 1.63488
8 1W55 C 0.0004278 0.44604 1.90736
9 1W55 GPP 0.00001053 0.43314 1.90736
10 4DA6 GA2 0.0002579 0.45958 1.97628
11 3Q2I HP7 0.0007913 0.44667 1.9774
12 2PAR TMP 0.00237 0.41529 1.99005
13 1LGT BP3 0.00000605 0.55884 2.0202
14 1EDO NAP 0.00006226 0.49243 2.04918
15 2BNE U5P 0.000101 0.45167 2.07469
16 2BNF UTP 0.0006155 0.43081 2.07469
17 1I9G SAM 0.0007815 0.43476 2.14286
18 4AF0 IMP 0.00022 0.45634 2.17984
19 1GR0 NAD 0.001288 0.44568 2.17984
20 1F8F NAD 0.001527 0.43149 2.17984
21 4AF0 MOA 0.0002149 0.42678 2.17984
22 1ME8 RVP 0.014 0.40849 2.17984
23 3FSJ D7K 0.01351 0.40469 2.17984
24 3VGL BGC 0.0004953 0.42181 2.18069
25 3VGL ANP 0.003253 0.40477 2.18069
26 1RM4 NDP 0.0006336 0.44868 2.37389
27 3C2O NTM 0.000138 0.49151 2.38095
28 1LDM NAD 0.001716 0.43567 2.43161
29 1E4I NFG 0.000054 0.44994 2.45232
30 1VCO GLN 0.0004243 0.42077 2.45232
31 1G7V PAI 0.004047 0.40364 2.46479
32 4TSK NDP 0.004682 0.41527 2.57143
33 1CR1 TTP 0.00001253 0.51855 2.7027
34 4G1V FAD 0.001492 0.45283 2.7248
35 1I2B NAD 0.03286 0.40788 2.7248
36 1I2B USQ 0.03286 0.40788 2.7248
37 1I2B UPG 0.03286 0.40788 2.7248
38 2RDT 2RD 0.01339 0.40365 2.7248
39 3UXL CFI 0.02478 0.40273 2.7248
40 3EAU NDP 0.01294 0.40981 2.75229
41 3EAU PDN 0.01294 0.40981 2.75229
42 2BMK PDD 0.02104 0.40479 2.8169
43 1LTH NAD 0.002466 0.4223 2.82132
44 4GQB 0XU 0.007833 0.40412 2.90698
45 1TV5 ORO 0.001803 0.41063 2.93454
46 1J2Z SOG 0.00001852 0.49114 2.96296
47 2P8B NSK 0.0003513 0.48208 2.99728
48 1YBH P22 0.0002064 0.4375 2.99728
49 1YBH FAD 0.008325 0.42025 2.99728
50 3FPZ AHZ 0.004473 0.42749 3.06748
51 4N02 FNR 0.00195 0.42599 3.08123
52 1T26 NAI 0.01055 0.41909 3.10559
53 1T26 GBD 0.01055 0.41909 3.10559
54 3AIQ HBO 0.006291 0.40174 3.26975
55 1DXY NAD 0.00001886 0.52512 3.3033
56 1DXY COI 0.00005467 0.44786 3.3033
57 4U36 TNR 0.001199 0.40277 3.33333
58 1XMV ADP 0.00001012 0.50748 3.37079
59 3O03 NAP 0.0004031 0.45424 3.43643
60 1SAZ ACP 0.00007944 0.49293 3.54223
61 3EJ0 11X 0.0003073 0.42359 3.57143
62 3V91 UPG 0.0007462 0.43742 3.78007
63 1P4C FMN 0.006988 0.41425 3.81471
64 2BGM NAJ 0.0102 0.40287 3.81471
65 4M6T SAM 0.00009707 0.45847 3.82514
66 4A8T PAO 0.001342 0.43819 3.83481
67 3O9P MHI 0.0003836 0.46061 4.08719
68 3SUC ATP 0.0001455 0.45241 4.08719
69 1IZC PYR 0.00006341 0.43967 4.12979
70 4CMF PXG 0.006563 0.40533 4.34783
71 3A8U PLP 0.0009872 0.40549 4.35967
72 1Q3Q ANP 0.009237 0.40445 4.35967
73 4EKV BTN 0.0008849 0.41916 4.40252
74 1GSA ADP 0.00576 0.40572 4.43038
75 5D6C 57S 0.03136 0.41424 4.46429
76 1NPL MAN 0.0001111 0.43196 4.58716
77 3NOJ PYR 0.0000001838 0.52791 4.62185
78 1N6B DMZ 0.0007404 0.42686 4.63215
79 4LCQ URQ 0.001968 0.40205 4.63215
80 2X61 NGA GAL SIA 0.0008189 0.44299 4.65116
81 2X61 CH 0.0003084 0.44237 4.65116
82 1BDB NAD 0.0001859 0.47608 4.69314
83 3L8W XAN 0.009043 0.40478 4.72973
84 1ZFJ IMP 0.00001608 0.53039 4.90463
85 3MMR ABH 0.001102 0.43665 4.90463
86 1WL4 COA 0.00541 0.40314 4.90463
87 2FH5 GTP 0.001137 0.427 5.14019
88 4TMK T5A 0.001536 0.458 5.16432
89 2NLI LAC 0.01092 0.40314 5.17711
90 1SS4 GSH 0.0282 0.43669 5.22876
91 2R7K AMZ 0.001822 0.44943 5.26316
92 2R7K ACP 0.001822 0.44943 5.26316
93 2ZI8 SDT 0.0008591 0.41392 5.33333
94 1XP8 AGS 0.000105 0.46454 5.44959
95 2YYJ 4HP 0.007806 0.41929 5.44959
96 2YYJ FAD 0.007806 0.41929 5.44959
97 1DRV A3D 0.004437 0.40977 5.49451
98 1MVQ MMA 0.0003654 0.42923 5.50847
99 1O9U ADZ 0.04603 0.40232 5.71429
100 3K37 BCZ 0.009889 0.41429 5.72207
101 2OWZ F6P 0.004134 0.40332 5.72289
102 2NSJ C2R 0.0001503 0.47956 5.91716
103 1V5F FAD 0.01996 0.4219 5.99455
104 1V5F TPP 0.01996 0.4219 5.99455
105 1KW6 BPY 0.006435 0.41299 6.16438
106 2FMD MAN MAN 0.00006764 0.43034 6.25
107 2P2V CSF 0.007732 0.40277 6.25
108 1JQ5 NAD 0.0004863 0.48368 6.26703
109 2IMP NAI 0.01284 0.40994 6.26703
110 1RP0 AHZ 0.0008724 0.44942 6.33803
111 3UC5 ATP 0.0007855 0.44445 6.36943
112 1GXU 2HP 0.00000008535 0.53063 6.59341
113 3MB5 SAM 0.001501 0.42837 6.66667
114 4IVG ANP 0.003686 0.41435 6.81199
115 1UQX MMA 0.001197 0.4028 7.07965
116 1G41 ADP 0.00004756 0.48627 7.08447
117 1JN2 SFP 0.000006914 0.43116 7.173
118 3VOZ 04A 0.0003065 0.40077 7.30159
119 1WVC CTP 0.00001106 0.52997 7.33591
120 1RSD PSB 0.0002417 0.50682 7.43802
121 3K9W ADE 0.000103 0.49823 7.48663
122 3K9W 4PS 0.000103 0.49823 7.48663
123 1QCA FUA 0.008464 0.41051 7.51174
124 1ZK4 AC0 0.0003053 0.47202 7.56972
125 1ZK4 NAP 0.0003053 0.47202 7.56972
126 1EXB NDP 0.001526 0.44162 7.76699
127 1A5Z NAD 0.0007305 0.43775 7.83699
128 4BPM GSH 0.00151 0.40121 7.86517
129 2ET1 GLV 0.00008865 0.45983 7.9602
130 1OD6 PNS 0.0003379 0.45258 8.125
131 3QVL 5HY 0.00004274 0.48494 8.16327
132 4PNO U5P 0.00002941 0.41914 8.33333
133 4KCF AKM 0.005557 0.40793 8.81057
134 4KCF FMN 0.004091 0.40135 8.81057
135 1O6B ADP 0.0004381 0.44263 8.87574
136 4HPP GLU 0.0004016 0.43343 8.99183
137 1VQ2 DDN 0.0001206 0.47687 9.32642
138 2Q6K ADN 0.0000679 0.49332 9.54064
139 1X1T NAD 0.005389 0.42094 9.61539
140 2GJ3 FAD 0.0002103 0.47685 10
141 4JP3 CIT 0.000364 0.43216 10.0418
142 2FWP CIT 0.001021 0.41435 10.3825
143 3M0J OAF 0.0008206 0.41751 10.7492
144 3PHQ KDO 0.0002056 0.56147 11.0599
145 3D2M COA 0.0001305 0.4959 11.4441
146 3RO7 TDR 0.0001412 0.49287 11.6981
147 2CCV A2G 0.0004522 0.41816 11.8812
148 1AL8 DHP 0.003467 0.42431 11.9777
149 1AL8 FMN 0.001948 0.42431 11.9777
150 2PN6 GLN 0.00004671 0.49868 12
151 2RHW C0E 0.0004656 0.45519 12.0141
152 1OFH ADP 0.00005465 0.4869 12.5806
153 3ZZS TRP 0.001411 0.41485 13.8462
154 3ZZL TRP 0.001576 0.41783 14.2857
155 2XD9 XD9 0.0492 0.40377 16.7665
156 1JH7 UVC 0.00004458 0.47012 16.9312
157 1C3M MAN MAN 0.0001199 0.40199 19.0476
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