Receptor
PDB id Resolution Class Description Source Keywords
5C5T 1.6 Å EC: 3.-.-.- THE CRYSTAL STRUCTURE OF VIRAL COLLAGEN PROLYL HYDROXYLASE V PARAMECIUM BURSARIA CHLORELLA VIRUS-1 - 2OG COMPLEX PARAMECIUM BURSARIA CHLORELLA VIRUS 1 DIOXYGENASE PROLYL HYDROXYLASE OXIDOREDUCTASE
Ref.: STRUCTURE AND MECHANISM OF A VIRAL COLLAGEN PROLYL HYDROXYLASE. BIOCHEMISTRY V. 54 6093 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AKG B:301;
A:301;
Valid;
Valid;
none;
none;
Kd = 681 uM
146.098 C5 H6 O5 C(CC(...
ZN A:302;
B:302;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
MN A:303;
Part of Protein;
none;
submit data
54.938 Mn [Mn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5C5T 1.6 Å EC: 3.-.-.- THE CRYSTAL STRUCTURE OF VIRAL COLLAGEN PROLYL HYDROXYLASE V PARAMECIUM BURSARIA CHLORELLA VIRUS-1 - 2OG COMPLEX PARAMECIUM BURSARIA CHLORELLA VIRUS 1 DIOXYGENASE PROLYL HYDROXYLASE OXIDOREDUCTASE
Ref.: STRUCTURE AND MECHANISM OF A VIRAL COLLAGEN PROLYL HYDROXYLASE. BIOCHEMISTRY V. 54 6093 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 218 families.
1 5C5T Kd = 681 uM AKG C5 H6 O5 C(CC(=O)O)....
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 5C5T Kd = 681 uM AKG C5 H6 O5 C(CC(=O)O)....
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 5C5T Kd = 681 uM AKG C5 H6 O5 C(CC(=O)O)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AKG; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 AKG 1 1
2 OOG 0.5 0.947368
3 69O 0.458333 0.714286
4 2IT 0.423077 0.615385
5 SHF 0.416667 0.666667
6 3PY 0.409091 0.652174
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5C5T; Ligand: AKG; Similar sites found: 148
This union binding pocket(no: 1) in the query (biounit: 5c5t.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1DZK PRZ 0.003194 0.40551 None
2 1GQG DCD 0.009766 0.42199 1.31579
3 5ML3 DL3 0.002567 0.46964 1.34228
4 3FW4 CAQ 0.01544 0.41499 1.68539
5 2RDQ AKG 0.0001048 0.51878 1.75439
6 4YZC STU 0.02452 0.41775 1.75439
7 5SVV FMN 0.02143 0.40149 2.18978
8 5I0U DCY 0.0001005 0.50129 2.19298
9 3W68 VIV 0.02627 0.40024 2.19298
10 4HIA FMN 0.01993 0.42046 2.27273
11 2AG4 OLA 0.03854 0.42077 2.43902
12 2AG4 LP3 0.04171 0.42077 2.43902
13 4BXF AKG 0.00003272 0.49802 2.63158
14 3PUA OGA 0.00004819 0.49186 2.63158
15 4XAC AKG 0.000086 0.48258 2.63158
16 5JSP DQY 0.0006349 0.44294 2.63158
17 1PVN MZP 0.04164 0.40821 2.63158
18 4J7Q B7N 0.03629 0.40665 2.63158
19 2TPS TPS 0.02379 0.40678 2.64317
20 4OCT AKG 0.0000001655 0.6345 2.7027
21 5BU3 4W9 0.005808 0.43163 2.71739
22 5I8T LAC 0.001416 0.43616 2.7933
23 4R38 RBF 0.01033 0.41736 2.85714
24 4P7X AKG 0.0001007 0.51256 3.07018
25 4P7X YCP 0.0001007 0.51256 3.07018
26 2XUM OGA 0.00005684 0.47251 3.07018
27 3KV5 OGA 0.0008572 0.4699 3.07018
28 3PUR 2HG 0.0008916 0.46328 3.07018
29 2OG7 SIN 0.00006949 0.45553 3.07018
30 5BVE 4VG 0.02859 0.42999 3.07018
31 3KV4 OGA 0.001707 0.42189 3.07018
32 3N9O OGA 0.002151 0.40752 3.07018
33 4BVA T3 0.04194 0.40714 3.07018
34 4XBT FLC 0.01687 0.40309 3.22581
35 4XBT 3ZQ 0.01861 0.40097 3.22581
36 1QY1 PRZ 0.007268 0.42675 3.44828
37 5IQT AKG 0.0008744 0.47074 3.49206
38 5IQT 6CU 0.001422 0.46588 3.49206
39 2WBP SIN 0.0001635 0.51124 3.50877
40 2WBP ZZU 0.0001635 0.51124 3.50877
41 5F3I 5UJ 0.001428 0.49807 3.50877
42 5IVE 6E8 0.001148 0.48016 3.50877
43 2Q8C AKG 0.001587 0.45018 3.50877
44 4ZSI 4R1 0.002813 0.43929 3.50877
45 4WHZ 3NL 0.02131 0.42911 3.50877
46 5LY2 OGA 0.0008958 0.42445 3.50877
47 2YBP 2HG 0.001936 0.42081 3.50877
48 2OS2 OGA 0.002505 0.41621 3.50877
49 5FWE OGA 0.00169 0.41318 3.50877
50 1B8O IMH 0.03104 0.40083 3.50877
51 1J3R 6PG 0.008028 0.41016 3.68421
52 1GP6 DH2 0.000003251 0.60139 3.94737
53 1GP6 QUE 0.000003598 0.60139 3.94737
54 1GP6 SIN 0.000003251 0.60139 3.94737
55 2A1X AKG 0.00003351 0.45021 3.94737
56 3OPT AKG 0.006402 0.41855 3.94737
57 2IXC TRH 0.01485 0.41117 3.94737
58 4ZXA H8N 0.007819 0.40814 3.94737
59 2CM4 RCL 0.02179 0.40277 4
60 4ZU4 4TG 0.0198 0.40147 4.05405
61 1DRY AKG 0.0003746 0.50048 4.38596
62 1DRY AAG 0.0003746 0.50048 4.38596
63 4GJY OGA 0.00003482 0.48067 4.38596
64 2XMY CDK 0.02674 0.43349 4.38596
65 3VQ2 LP4 LP5 MYR DAO 0.02543 0.42157 4.38596
66 5DEY 59T 0.04618 0.41365 4.38596
67 3ZDS M8O 0.008973 0.40529 4.38596
68 5M0T AKG 0.0000677 0.52297 4.82456
69 5FWJ MMK 0.0004605 0.46662 4.82456
70 5FP3 3JI 0.001706 0.46011 4.82456
71 5UQD AKG 0.0006339 0.4289 4.82456
72 5FLJ QUE 0.02425 0.402 4.82456
73 2QZ3 XYP XYP XYP 0.01837 0.40652 4.86486
74 1GT4 UNA 0.001382 0.45439 5.03145
75 1OIJ AKG 0.000005191 0.49712 5.26316
76 4QXB OGA 0.00139 0.44383 5.26316
77 1QD1 FON 0.01329 0.41832 5.26316
78 3MTX PGT 0.03217 0.40618 5.29801
79 3E2M E2M 0.02992 0.40028 5.40541
80 4NPL AKG 0.0000002447 0.58904 5.70175
81 3AVS OGA 0.0004723 0.4661 5.70175
82 4Y3O OGA 0.000246 0.44892 5.70175
83 4CCK OGA 0.000264 0.44711 5.70175
84 2A1L PCW 0.04072 0.41131 5.70175
85 2FCU AKG 0.00004213 0.49476 6.14035
86 3H7J PPY 0.000258 0.48739 6.14035
87 5EPA AKG 0.0005235 0.45822 6.14035
88 3ACL 3F1 0.009627 0.41312 6.14035
89 4ZAC 4LU 0.02578 0.41125 6.14035
90 3W21 AKG 0.00006171 0.45788 6.57895
91 3TAY MN0 0.01878 0.41065 6.74847
92 2GJ5 VD3 0.03348 0.41052 6.79012
93 1OS7 AKG 0.00006732 0.52609 7.01754
94 1OS7 TAU 0.00006732 0.52609 7.01754
95 3E9I XAH 0.0348 0.40206 7.01754
96 4IGQ THR M3L GLN 0.001892 0.45206 7.45614
97 2GC0 PAN 0.006167 0.42468 7.45614
98 4IGQ OGA 0.0003839 0.41373 7.45614
99 5KR7 6X9 0.01074 0.40645 7.45614
100 1YQC GLV 0.02441 0.40432 7.64706
101 1WUB OTP 0.01699 0.43104 7.86517
102 5A3T MMK 0.001335 0.47679 7.89474
103 3OTX AP5 0.04304 0.40165 7.89474
104 3FW9 SLX 0.007947 0.42119 8.33333
105 4QM9 CYS 0.0017 0.41276 8.67052
106 1ODM ASV 0.000008087 0.58134 8.77193
107 4RFR RHN 0.00001203 0.56065 8.86699
108 5U98 1KX 0.03999 0.42117 9.09091
109 3QUZ QUV 0.04144 0.41627 9.09091
110 4OJ8 AKG 0.02557 0.42316 9.21053
111 2Y6Q I7T 0.03203 0.42022 9.21053
112 2G30 ALA ALA PHE 0.004145 0.40659 9.21053
113 4M26 SIN 0.00047 0.49374 9.64912
114 4M26 ZZU 0.00047 0.49374 9.64912
115 4M26 AKG 0.0001156 0.47561 9.64912
116 5L9V OGA 0.00000001145 0.6612 10.0877
117 5LUN ARG 0.000003712 0.6007 10.0877
118 5LUN OGA 0.0000005396 0.59422 10.0877
119 5C3R HMU 0.00000129 0.51698 10.9649
120 5C3R AKG 0.00000129 0.51698 10.9649
121 2IUW AKG 0.001001 0.48177 10.9649
122 3HQR OGA 0.000000009656 0.69802 11.4035
123 5L9B AKG 0.000000009907 0.69301 11.4035
124 4BQY FNT 0.00000006872 0.53274 11.4035
125 1X7D ORN 0.02489 0.41839 11.4035
126 4JZR 4JR 0.000008356 0.54931 12.037
127 4QAC KK3 0.004573 0.43858 12.4424
128 5FPX GLY SER SER HIS HIS HIS HIS HIS 0.00004132 0.53416 13.2743
129 5D48 L96 0.0051 0.44102 13.8158
130 5HWV MBN 0.007619 0.40346 13.8462
131 5TFZ 7BC 0.001628 0.44057 14
132 4WN5 MVC 0.01326 0.41528 14.7826
133 5EFW FMN 0.01907 0.40228 15
134 1LRH NLA 0.00621 0.41552 15.9509
135 5V1B 8UY 0.0001703 0.47761 16.6667
136 3LOO B4P 0.03317 0.40974 17.1053
137 3AJH BL3 0.02077 0.40043 17.9825
138 4XCB AKG 0.000007608 0.53998 20.614
139 4XCB HY0 0.00007537 0.53418 20.614
140 2P5B OGA 0.005833 0.41928 22.7273
141 5IXH OTP 0.04983 0.40568 24.2236
142 2Q8E OGA 0.002418 0.41752 25
143 3N9P OGA 0.001672 0.41162 25
144 3AVR OGA 0.0002141 0.49206 40.9091
145 2JIG PD2 0.000000001857 0.72279 42.8571
146 4J25 OGA 0.000000007744 0.6541 43.2314
147 5HV0 AKG 0.00000000003661 0.81975 44.7368
148 3N9Q OGA 0.002083 0.40804 47.0588
Pocket No.: 2; Query (leader) PDB : 5C5T; Ligand: AKG; Similar sites found: 13
This union binding pocket(no: 2) in the query (biounit: 5c5t.bio2) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2IFW ACE PHE LYS PHE PSA LEU AAR 0.04047 0.40092 2.42718
2 2GU8 796 0.02951 0.42587 3.94737
3 3NEM AMO 0.02896 0.40239 3.94737
4 3FW3 ETS 0.02057 0.40064 3.94737
5 3H9A PPY 0.009065 0.40049 3.94737
6 5IXG OTP 0.01507 0.43647 4.14201
7 3EW2 BTN 0.01284 0.40035 5.92593
8 1OX5 1PR 0.02989 0.40428 6.14035
9 1O44 852 0.04247 0.40592 7.40741
10 1IIU RTL 0.01577 0.40985 8.62069
11 2YG2 FLC 0.01827 0.41268 9.88372
12 4XT2 43L 0.008646 0.42466 10.2564
13 1U0A BGC BGC BGC BGC 0.01708 0.40088 11.215
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