Receptor
PDB id Resolution Class Description Source Keywords
4BTB 1.9 Å EC: 1.14.11.2 CRYSTAL STRUCTURE OF THE PEPTIDE(PRO)9 BOUND COMPLEX OF N-TE DOMAIN AND PEPTIDE SUBSTRATE BINDING DOMAIN OF PROLYL-4 HYD( RESIDUES 1-238) TYPE I FROM HUMAN HOMO SAPIENS OXIDOREDUCTASE TETRATRICOPEPTIDE REPEAT MOTIF COILED-COILRICH PEPTIDE
Ref.: THE STRUCTURAL MOTIFS FOR SUBSTRATE BINDING AND DIM OF THE ALPHA SUBUNIT OF COLLAGEN PROLYL 4-HYDROXYLA STRUCTURE V. 21 2107 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PRO PRO PRO PRO PRO PRO PRO PRO PRO C:0;
Valid;
none;
Kd = 9.8 uM
877.077 n/a O=C(N...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4BTB 1.9 Å EC: 1.14.11.2 CRYSTAL STRUCTURE OF THE PEPTIDE(PRO)9 BOUND COMPLEX OF N-TE DOMAIN AND PEPTIDE SUBSTRATE BINDING DOMAIN OF PROLYL-4 HYD( RESIDUES 1-238) TYPE I FROM HUMAN HOMO SAPIENS OXIDOREDUCTASE TETRATRICOPEPTIDE REPEAT MOTIF COILED-COILRICH PEPTIDE
Ref.: THE STRUCTURAL MOTIFS FOR SUBSTRATE BINDING AND DIM OF THE ALPHA SUBUNIT OF COLLAGEN PROLYL 4-HYDROXYLA STRUCTURE V. 21 2107 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 4BT9 Kd = 143.5 uM PRO PRO GLY PRO PRO GLY PRO PRO GLY n/a n/a
2 4BTB Kd = 9.8 uM PRO PRO PRO PRO PRO PRO PRO PRO PRO n/a n/a
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 4BT9 Kd = 143.5 uM PRO PRO GLY PRO PRO GLY PRO PRO GLY n/a n/a
2 4BTB Kd = 9.8 uM PRO PRO PRO PRO PRO PRO PRO PRO PRO n/a n/a
50% 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 4BT9 Kd = 143.5 uM PRO PRO GLY PRO PRO GLY PRO PRO GLY n/a n/a
2 4BTB Kd = 9.8 uM PRO PRO PRO PRO PRO PRO PRO PRO PRO n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PRO PRO PRO PRO PRO PRO PRO PRO PRO; Similar ligands found: 13
No: Ligand ECFP6 Tc MDL keys Tc
1 PRO PRO PRO PRO PRO PRO PRO PRO PRO 1 1
2 PRO PRO PRO PRO PRO PRO PRO PRO 1 1
3 PRO PRO PRO PRO PRO PRO LEU PRO PRO 0.666667 0.8125
4 PRO PRO PRO VAL PRO PRO TYR SER ALA GLY 0.662338 0.866667
5 PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO 0.65 0.951219
6 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU 0.532468 0.8125
7 ALA PRO PRO ALA 0.492308 0.951219
8 PRO PRO GLY PRO PRO GLY PRO PRO GLY 0.45679 0.8125
9 MET PRO PRO PRO PRO TPO PRO ARG SER 0.431579 0.696429
10 PRO PRO PRO PRO PRO PRO PRO PRO IYR 0.430108 0.672414
11 ZPR 0.428571 0.791667
12 MET PRO PRO PRO PRO SEP PRO CYS THR 0.427083 0.661017
13 ACE PHE PRO PRO PRO PRO THR 0.425287 0.886364
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4BTB; Ligand: PRO PRO PRO PRO PRO PRO PRO PRO PRO; Similar sites found: 152
This union binding pocket(no: 1) in the query (biounit: 4btb.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5G3N X28 0.02397 0.4108 None
2 3SVJ 4LI 0.01839 0.41489 1.47783
3 4IEH 1E9 0.03214 0.40818 1.77515
4 4KVX ACO 0.009153 0.4403 1.92308
5 3KDU NKS 0.00548 0.47194 2.09205
6 1NF8 BOG 0.0006198 0.47215 2.41546
7 1YMT DR9 0.009473 0.44329 2.51046
8 5XDT ZI7 0.009004 0.43963 2.51046
9 2Q2Y MKR 0.01764 0.43904 2.51046
10 2Q2Y ADP 0.01834 0.43904 2.51046
11 1JR8 FAD 0.01977 0.41609 2.5641
12 2WPX ACO 0.001019 0.47956 2.92887
13 4DXJ IPE 0.003581 0.46458 2.92887
14 4DXJ 0M9 0.003205 0.46458 2.92887
15 1BZL GCG 0.01655 0.45441 2.92887
16 3L0E G58 0.01029 0.43908 2.92887
17 1YC4 43P 0.005855 0.4335 2.92887
18 1H9G COA MYR 0.01663 0.42789 2.92887
19 4M0R 644 0.04438 0.41616 2.92887
20 1OLM VTQ 0.03417 0.40876 2.92887
21 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.01494 0.40821 2.92887
22 1BUC CAA 0.0338 0.40677 2.92887
23 3I9U DTU 0.01371 0.40641 2.92887
24 4OMJ 2TX 0.04722 0.40639 2.92887
25 3EE4 MYR 0.02725 0.40522 2.92887
26 2VAT COA 0.02802 0.40417 2.92887
27 4XIZ LPP 0.01675 0.43208 2.94118
28 4B7P 9UN 0.01028 0.4512 3.04348
29 3EWK FAD 0.002627 0.46048 3.0837
30 1YKI FMN 0.001911 0.48647 3.22581
31 1YKI NFZ 0.002238 0.48647 3.22581
32 4ORM 2V6 0.002343 0.50179 3.34728
33 4ORM FMN 0.002343 0.50179 3.34728
34 4ORM ORO 0.002343 0.50179 3.34728
35 5HGZ ACO 0.001382 0.48401 3.34728
36 4DV8 0LX 0.01284 0.44239 3.34728
37 1M13 HYF 0.01156 0.44084 3.34728
38 1TV5 N8E 0.001383 0.42428 3.34728
39 4RW3 SHV 0.021 0.417 3.34728
40 4OKD GLC GLC GLC 0.007203 0.41454 3.34728
41 3BEJ MUF 0.01092 0.43256 3.36134
42 4HIA FMN 0.008434 0.45321 3.40909
43 3HOK Q80 0.01713 0.4094 3.43348
44 2WPF WPF 0.003635 0.50636 3.76569
45 2HFP NSI 0.0006222 0.49945 3.76569
46 2ZPA ACO 0.001656 0.47677 3.76569
47 3G9E RO7 0.003529 0.4727 3.76569
48 3OV6 MK0 0.00818 0.44712 3.76569
49 3WCA FPS 0.02927 0.41546 3.76569
50 2JFN UMA 0.01505 0.41225 3.76569
51 1ID0 ANP 0.01107 0.41887 3.94737
52 1SR7 MOF 0.002862 0.47243 4.1841
53 3IL6 B83 0.02079 0.41307 4.1841
54 1ZSQ PIB 0.02292 0.41083 4.1841
55 2GFD RDA 0.0101 0.43641 4.23729
56 3ZJ0 ACO 0.002488 0.47075 4.36893
57 4B5P ACO 0.01185 0.43497 4.5
58 2WOR 2AN 0.001449 0.44676 4.60251
59 2Q1H AS4 0.007187 0.43404 4.60251
60 3V49 PK0 0.02491 0.41288 4.60251
61 3BJC WAN 0.01593 0.40253 4.60251
62 2B4D COA 0.03462 0.40093 4.67836
63 5AZC PGT 0.04571 0.43703 5.02092
64 2O1V ADP 0.01797 0.4052 5.02092
65 3ER9 3AT 0.01483 0.41291 5.43933
66 2HW2 RFP 0.01206 0.42754 5.59441
67 1GHE ACO 0.0009781 0.49129 5.64972
68 4YV5 SVR 0.01816 0.47594 5.7377
69 3MBG FAD 0.003462 0.46253 5.7554
70 1CMC SAM 0.02311 0.41628 5.76923
71 1BGQ RDC 0.01208 0.43586 5.77778
72 2BJ4 OHT 0.0009567 0.48569 5.85774
73 5E7V M7E 0.01473 0.43355 5.85774
74 3UUD EST 0.007247 0.43061 5.85774
75 5V3Y 5V8 0.006893 0.42628 5.85774
76 1H16 COA 0.01316 0.42354 5.85774
77 4MGB XDH 0.01255 0.42107 5.85774
78 4MG7 27H 0.01676 0.41351 5.85774
79 4TV1 36M 0.004921 0.40026 5.85774
80 4ZOM 4Q3 0.002282 0.5108 6.22222
81 1P0H ACO 0.003335 0.499 6.27615
82 1P0H COA 0.003247 0.499 6.27615
83 2P1C GG3 0.00564 0.45247 6.27615
84 4UCC ZKW 0.008104 0.42109 6.27615
85 1FM9 9CR 0.007 0.4405 6.30252
86 1FM9 570 0.02222 0.42443 6.30252
87 3U5S FAD 0.0251 0.4103 6.34921
88 3O55 FAD 0.009307 0.43699 6.4
89 3LEO GSH 0.006426 0.43845 6.45161
90 4POJ 2VP 0.01628 0.42305 6.49351
91 3H0A D30 0.01577 0.4243 6.57895
92 1M2Z BOG 0.0004504 0.49098 6.69456
93 3AHQ FAD 0.01077 0.43291 6.69456
94 3P0K FAD 0.01092 0.43095 6.69456
95 3FWN ATR 0.024 0.42633 6.69456
96 4LSJ LSJ 0.01156 0.42594 6.69456
97 3FWN 6PG 0.01371 0.42284 6.69456
98 3BQD DAY 0.02813 0.40633 6.69456
99 4U00 ADP 0.007108 0.40213 6.69456
100 4P6X HCY 0.0321 0.4008 6.69456
101 4RC8 STE 0.0156 0.42303 6.75676
102 5N8V KZZ 0.002166 0.4051 7.24638
103 5KAU RHQ 0.003124 0.45773 7.87879
104 2J07 FAD 0.003477 0.49013 7.94979
105 2PRG BRL 0.01881 0.41203 7.95455
106 1TIQ COA 0.0008422 0.48053 8.33333
107 1NP7 FAD 0.0377 0.40583 8.3682
108 5DB3 58Q 0.03033 0.40272 8.3682
109 5V4R MGT 0.003594 0.43744 8.64198
110 4KCF AKM 0.004137 0.45351 8.78661
111 4OYA 1VE 0.02182 0.44771 8.78661
112 3B96 MYA 0.01121 0.42695 8.78661
113 1OQC FAD 0.04018 0.40051 8.8
114 2E2R 2OH 0.0006391 0.5138 9.62343
115 2CNT COA 0.001347 0.48271 9.62343
116 1N4H REA 0.0164 0.41881 9.62343
117 4KX8 L2O VAL VAL ASP 0.01605 0.41881 9.62343
118 5JPH COA 0.006514 0.44031 9.72222
119 1ELR ACE MET GLU GLU VAL ASP 0.01405 0.41033 9.92366
120 3TDC 0EU 0.00002586 0.59897 10.0418
121 1WWZ ACO 0.001119 0.49395 10.0629
122 1BII ARG GLY PRO GLY ARG ALA PHE VAL THR ILE 0.0006475 0.49843 10.084
123 3VHZ L2P GLC MAN SGA 0.005416 0.47077 10.4603
124 3VHZ SOG 0.009862 0.45358 10.4603
125 3G4G D71 0.008543 0.42775 10.4603
126 3B99 U51 0.009187 0.41962 10.4603
127 3EYK EYK 0.005452 0.43593 10.4651
128 2EVL GAL SPH EIC 0.03322 0.43265 10.5263
129 3ANP DCC 0.001319 0.48769 10.8787
130 2I0G I0G 0.004843 0.47942 10.8787
131 3ANP DAO 0.003096 0.46117 10.8787
132 3OLL EST 0.006763 0.4348 10.8787
133 1NTV ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 0.002345 0.46816 11.1842
134 4NAT ADP 0.0222 0.45347 11.25
135 4XB4 45D 0.002849 0.46428 11.8421
136 2FP2 TSA 0.02136 0.41138 12.0482
137 5U98 1KX 0.0001997 0.56849 12.1212
138 3G08 FEE 0.00855 0.46733 12.1212
139 3DBX PLM 0.005378 0.43311 12.1212
140 5U98 VAL THR THR ASP ILE GLN VAL LYS VAL 0.01678 0.42896 12.1212
141 5L2J 6UL 0.002983 0.4992 12.2449
142 5L2J 70E 0.003143 0.4992 12.2449
143 1S8G DAO 0.01253 0.41567 12.3967
144 2Y69 CHD 0.006124 0.41224 12.8571
145 1G6H ADP 0.004595 0.42391 12.9707
146 1N46 PFA 0.012 0.43329 15.0628
147 2DYR TGL 0.017 0.42986 15.3061
148 2DYR PGV 0.04215 0.41499 15.3061
149 2Z7I 742 0.02565 0.44777 17.9916
150 5OCA 9QZ 0.005701 0.4232 22.2222
151 4EKQ NPO 0.008465 0.42962 22.4599
152 3RV5 DXC 0.005045 0.42648 24.7191
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