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Receptor
PDB id Resolution Class Description Source Keywords
2GTF 1.4 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF NITROPHORIN 2 COMPLEX WITH PYRIMIDINE RHODNIUS PROLIXUS BETA BARREL LIPOCALIN FERRIC HEME PYRIMIDINE TRANSPORT P
Ref.: CRYSTAL STRUCTURES, LIGAND INDUCED CONFORMATIONAL C HEME DEFORMATION IN COMPLEXES OF NITROPHORIN 2, A N OXIDE TRANSPORT PROTEIN FROM RHODNIUS PROLIXUS TO BE PUBLISHED
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HEM X:201;
Part of Protein;
none;
submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
P1R X:202;
Valid;
none;
submit data
80.088 C4 H4 N2 c1cnc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2GTF 1.4 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF NITROPHORIN 2 COMPLEX WITH PYRIMIDINE RHODNIUS PROLIXUS BETA BARREL LIPOCALIN FERRIC HEME PYRIMIDINE TRANSPORT P
Ref.: CRYSTAL STRUCTURES, LIGAND INDUCED CONFORMATIONAL C HEME DEFORMATION IN COMPLEXES OF NITROPHORIN 2, A N OXIDE TRANSPORT PROTEIN FROM RHODNIUS PROLIXUS TO BE PUBLISHED
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 2GTF - P1R C4 H4 N2 c1cncnc1
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 4XMF - HSM C5 H9 N3 c1c(nc[nH]....
2 4XMH - GLY GLY GLY n/a n/a
3 2GTF - P1R C4 H4 N2 c1cncnc1
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 4XMF - HSM C5 H9 N3 c1c(nc[nH]....
2 4XMH - GLY GLY GLY n/a n/a
3 4HPD Ka = 1780 M^-1 HCS C4 H9 N O2 S C(CS)[C@@H....
4 4HPC Ka = 167 M^-1 CYS C3 H7 N O2 S C([C@@H](C....
5 1U18 - HSM C5 H9 N3 c1c(nc[nH]....
6 2GTF - P1R C4 H4 N2 c1cncnc1
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: P1R; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 P1R 1 1
2 0PY 0.4 0.666667
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2GTF; Ligand: P1R; Similar sites found with APoc: 187
This union binding pocket(no: 1) in the query (biounit: 2gtf.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
1 2TPI ILE VAL None
2 2E0N SAH None
3 4XTX 590 None
4 2CDN ADP None
5 6GNO XDI None
6 3T4L ZEA 1.11111
7 1WPY BTN 1.66667
8 2DXU BT5 1.66667
9 1QKQ MAN 2.11268
10 2X34 UQ8 2.22222
11 1OUK 084 2.22222
12 4LOO SB4 2.22222
13 2X32 OTP 2.23464
14 2GJ5 VD3 2.46914
15 6GIN IR2 2.77778
16 4YBN FAD 2.77778
17 5LRT ADP 2.77778
18 5X8I SQZ 2.77778
19 5GZ9 ANP 2.77778
20 1V59 NAD 2.77778
21 5UMY TNN 2.85714
22 1QY1 PRZ 2.87356
23 1KGI T4A 3.14961
24 1JIF CU BLM 3.27869
25 3EFS BTN 3.33333
26 2C78 PUL 3.33333
27 4NG2 OHN 3.33333
28 5OX6 A1Z 3.33333
29 5UGH 8AJ 3.33333
30 6B3V ANP 3.33333
31 1M5B BN1 3.33333
32 3CGD COA 3.33333
33 3CGD FAD 3.33333
34 3RWP ABQ 3.33333
35 2PNC CLU 3.33333
36 5JIC N7E 3.33333
37 5JIC ADP 3.33333
38 3CGD NAD 3.33333
39 5TUK FAD 3.33333
40 4RF7 ARG 3.33333
41 1LSH PLD 3.33333
42 2Y6O 1N1 3.33333
43 5FLJ QUE 3.33333
44 5XDT ZI7 3.33333
45 2VVM FAD 3.33333
46 6D6L FY4 3.52941
47 1TT8 PHB 3.65854
48 2AGC DAO 3.7037
49 3SAO DBH 3.75
50 1MDC PLM 3.78788
51 5KOX RFP 3.88889
52 4E1Z 0MX 3.88889
53 1HXD BTN 3.88889
54 2H8H H8H 3.88889
55 4N70 2HX 3.88889
56 5VCV 1N1 3.88889
57 3P2H NOO 3.88889
58 4EMV 0R9 3.88889
59 5LI9 ACP 3.88889
60 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 3.88889
61 2JDR L20 3.88889
62 4DXD 9PC 3.88889
63 5U8U FAD 3.88889
64 4AG8 AXI 3.88889
65 5LI1 ANP 3.88889
66 5KJW 53C 3.88889
67 4DQ2 BTX 3.88889
68 6EWZ APC 4.21941
69 3EM0 CHD 4.34783
70 1GT4 UNA 4.40252
71 2JLD AG1 4.44444
72 4OYA 1VE 4.44444
73 4XV1 904 4.44444
74 6FYL 3NG 4.44444
75 4Z24 FAD 4.44444
76 5HV7 RBL 4.44444
77 4OM8 NAD 4.44444
78 5CIC 51R 4.62963
79 5UIU 8CG 4.95356
80 3ALN ANP 5
81 4QMN DB8 5
82 4EWH T77 5
83 4USF 6UI 5
84 3G5S FAD 5
85 1TQP ATP 5
86 6GWR FEW 5
87 2ART LPA AMP 5
88 4HA6 FAD 5
89 3G5D 1N1 5
90 3B1Q NOS 5
91 4F7E 0SH 5.10204
92 2RCU BUJ 5.55556
93 4WHZ 3NL 5.55556
94 4MOB ADP 5.55556
95 2IID PHE 5.55556
96 2IID FAD 5.55556
97 1OPK P16 5.55556
98 1F52 ADP 5.55556
99 3VMG 9CA 5.55556
100 6GQM F8H 5.55556
101 3PLS ANP 5.55556
102 3N0Y APC 5.58659
103 3A7R LAQ 6.11111
104 3HKW IX6 6.11111
105 4F9C 0SX 6.11111
106 3T1A 5MA 6.11111
107 5H2U 1N1 6.11111
108 4B0T ADP 6.11111
109 3C0G 3AM 6.11111
110 1XAJ CRB 6.11111
111 1XAJ NAD 6.11111
112 4IEN GDP 6.13497
113 4NFN 2KC 6.66667
114 5TUF FAD 6.66667
115 5TUF TDC 6.66667
116 2HK5 1BM 6.66667
117 4P8K FAD 6.66667
118 4P8K 38C 6.66667
119 6MPT C30 6.66667
120 5DQ8 FLF 7.22222
121 1VJY 460 7.22222
122 5DEY 59T 7.22222
123 5UY8 AMZ 7.22222
124 3ZJX BOG 7.22222
125 4H2W 5GP 7.22222
126 5D48 L96 7.23684
127 2AG4 LP3 7.31707
128 2AG4 OLA 7.31707
129 1N07 FMN 7.36196
130 2RGO FAD 7.77778
131 3TTZ 07N 7.77778
132 4P8O 883 7.77778
133 1NAA 6FA 7.77778
134 1NAA ABL 7.77778
135 4WOE ADP 7.77778
136 2FXD DR7 8.08081
137 5VNF VAL THR SER VAL VAL 8.33333
138 4OTH DRN 8.88889
139 2CUL FAD 8.88889
140 5MY8 RXZ 8.88889
141 1KRR ACO 8.88889
142 4KBA 1QM 8.88889
143 3DER ALA LYS 8.88889
144 5MJA 7O3 9.44444
145 2DQU CPD 9.44444
146 1Z03 OCH 9.44444
147 3CBC DBS 9.59596
148 2OFV 242 10
149 2OJW ADP 10
150 1IZE IVA VAL VAL STA ALA STA 10
151 3W9K MYR 10.0719
152 5O2N NAG 10.5556
153 3I73 ADP 10.5556
154 2NU8 COA 10.5556
155 3FW4 CAQ 10.6742
156 4QYN RTL 12.0301
157 1AJ0 SAN 12.2222
158 1AJ0 PH2 12.2222
159 4G31 0WH 12.2222
160 4GGL CJC 12.7778
161 4EUU BX7 12.7778
162 1KZN CBN 12.7778
163 4Q5H ANP 13.1579
164 6EOZ 58K 13.3333
165 6EOZ AKG 13.3333
166 5HES 032 13.3333
167 5WO4 B7V 13.3333
168 6C7Y ADP 13.3333
169 3EWC MCF 13.3333
170 5DMZ ADP 13.8889
171 2J7T 274 14.4444
172 3ZXR IQ1 15
173 3ZXR P3S 15
174 1JQ3 AAT 15.5556
175 1COY AND 15.5556
176 1COY FAD 15.5556
177 4TWP AXI 15.5556
178 5G48 1FL 15.5556
179 2J3M ATP 16.1111
180 2J3M PRI 16.1111
181 4L4V 1VY 16.6667
182 1S5O 152 16.6667
183 5JZJ AN2 17.2222
184 5LVP ATP 20
185 3HRD FAD 21.6667
186 2E5A LAQ 33.3333
187 3OLL EST 42.1053
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