Receptor
PDB id Resolution Class Description Source Keywords
4XMF 1.6 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF NITROPHORIN 7 FROM RHODNIUS PROLIXUS AT COMPLEXED WITH HISTAMINE RHODNIUS PROLIXUS HEME NO TRANSPORTER OXIDOREDUCTASE TRANSPORT PROTEIN
Ref.: STRUCTURE AND DYNAMICS OF THE MEMBRANE ATTACHING NI OXIDE TRANSPORTER NITROPHORIN 7. F1000RES V. 4 45 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HEM A:201;
Part of Protein;
none;
submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
HSM A:202;
Valid;
none;
submit data
111.145 C5 H9 N3 c1c(n...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4XMF 1.6 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF NITROPHORIN 7 FROM RHODNIUS PROLIXUS AT COMPLEXED WITH HISTAMINE RHODNIUS PROLIXUS HEME NO TRANSPORTER OXIDOREDUCTASE TRANSPORT PROTEIN
Ref.: STRUCTURE AND DYNAMICS OF THE MEMBRANE ATTACHING NI OXIDE TRANSPORTER NITROPHORIN 7. F1000RES V. 4 45 2015
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 4XMF - HSM C5 H9 N3 c1c(nc[nH]....
2 4XMH - GLY GLY GLY 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 1068 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 922 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: HSM; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 HSM 1 1
2 AHN 0.428571 0.72973
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4XMF; Ligand: HSM; Similar sites found: 297
This union binding pocket(no: 1) in the query (biounit: 4xmf.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4BFM ANP 0.00005929 0.55539 None
2 4OAS 2SW 0.001217 0.4946 None
3 5W4W 9WG 0.006939 0.42299 None
4 5CUO COA 0.01331 0.42256 None
5 3ZO7 K6H 0.001647 0.42084 None
6 4XTX 590 0.006233 0.41275 None
7 4IPH 1FJ 0.02054 0.40815 None
8 1N5S ADL 0.006041 0.4047 None
9 5U1M ACE LEU TYR ALA SER SER ASN PRO ALA PTR 0.03839 0.40276 None
10 4YBN FAD 0.006463 0.43798 1.08696
11 1YKD CMP 0.007186 0.4302 1.08696
12 4O97 NTX 0.0353 0.40255 1.08696
13 1N07 FMN 0.0213 0.41047 1.22699
14 4NG2 OHN 0.001528 0.47132 1.63043
15 2A8Y MTA 0.008986 0.40979 1.63043
16 5EW9 5VC 0.01523 0.40899 1.63043
17 3QP8 HL0 0.01417 0.40403 1.63043
18 4DR9 BB2 0.02652 0.401 1.63043
19 3IX8 TX3 0.005564 0.40912 1.7341
20 5X8I SQZ 0.0003007 0.52132 2.17391
21 4TSZ ACE GLN ALC ASP LEU ZCL 0.0004167 0.48413 2.17391
22 5KJW 53C 0.0003398 0.47037 2.17391
23 3A5Y KAA 0.003287 0.45357 2.17391
24 1K0E TRP 0.003041 0.45291 2.17391
25 2E0N SAH 0.004278 0.44999 2.17391
26 1S4M LUM 0.00651 0.43684 2.17391
27 4CSV STI 0.006329 0.4179 2.17391
28 5LRT ADP 0.00476 0.4142 2.17391
29 3H22 B53 0.01353 0.41399 2.17391
30 1OUK 084 0.02393 0.41026 2.17391
31 2X34 UQ8 0.0009859 0.51988 2.20994
32 2X32 OTP 0.001421 0.50571 2.23464
33 2TCL RO4 0.02883 0.40093 2.36686
34 3L5R 47X 0.007705 0.46832 2.45902
35 2JLD AG1 0.00003425 0.58769 2.71739
36 2PVN P63 0.0001837 0.52938 2.71739
37 3SLS ANP 0.0009524 0.48663 2.71739
38 3EKK GS2 0.003747 0.46046 2.71739
39 2YAK OSV 0.002382 0.44968 2.71739
40 3EFS BTN 0.003444 0.43229 2.71739
41 4EMV 0R9 0.01012 0.43207 2.71739
42 4BVA T3 0.02157 0.42005 2.71739
43 1VPV PLM 0.005036 0.40993 2.71739
44 4B7X NAP 0.007149 0.40951 2.71739
45 2RKV COA 0.01267 0.4039 2.71739
46 1VMK GUN 0.004386 0.40372 2.71739
47 4LRJ ANP 0.00005609 0.55061 2.95858
48 3DWQ NGC GAL NGA POL AZI 0.0225 0.40112 3.1746
49 2CUL FAD 0.0005307 0.5295 3.26087
50 3PE2 E1B 0.0003819 0.52919 3.26087
51 5JZJ AN2 0.00007822 0.52858 3.26087
52 3TKI S25 0.0009087 0.51012 3.26087
53 3HKW IX6 0.0009089 0.50188 3.26087
54 1X7D ORN 0.005099 0.47652 3.26087
55 4CLI 5P8 0.007229 0.4749 3.26087
56 1HXD BTN 0.001911 0.46255 3.26087
57 1ZB6 GST 0.005566 0.4612 3.26087
58 5GZ9 ANP 0.001382 0.45356 3.26087
59 4USF 6UI 0.003072 0.43615 3.26087
60 4GGL CJC 0.005444 0.43362 3.26087
61 1Q23 FUA 0.003815 0.42831 3.26087
62 5VC5 96M 0.006991 0.42239 3.26087
63 1F52 ADP 0.004538 0.4103 3.26087
64 2P4S DIH 0.005597 0.41002 3.26087
65 4CU1 71S 0.01944 0.40687 3.26087
66 3A5Z KAA 0.01979 0.40594 3.26087
67 1LQY BB2 0.02784 0.40212 3.26087
68 2V58 LZJ 0.009949 0.40101 3.26087
69 1TT8 PHB 0.002629 0.45279 3.65854
70 2RIO ADP 0.0002019 0.51765 3.80435
71 1Q8Y ADP 0.000162 0.51667 3.80435
72 5HCY 60D 0.001422 0.49894 3.80435
73 4QJP V1F 0.001962 0.48747 3.80435
74 4L3L 5FI 0.0008595 0.48005 3.80435
75 3B6R ADP 0.001364 0.46429 3.80435
76 4XLI 1N1 0.001074 0.44917 3.80435
77 2WSA 646 0.0104 0.44539 3.80435
78 2WSA MYA 0.0104 0.44539 3.80435
79 4ZTD ALA GLY ALA GLY ALA 0.001089 0.42302 3.80435
80 4B0T ADP 0.006978 0.42234 3.80435
81 3Q2H QHF 0.02438 0.42111 3.80435
82 3G08 FEE 0.01146 0.41888 3.80435
83 5H2U 1N1 0.004454 0.4147 3.80435
84 1U9Q 186 0.01012 0.4138 3.80435
85 4TWP AXI 0.01349 0.41076 3.80435
86 1XNK XS2 0.004013 0.41063 3.80435
87 4EIL NDP 0.03031 0.40696 3.80435
88 5X1M DHB 0.03513 0.40094 3.80435
89 5A89 ADP 0.01829 0.40136 3.84615
90 5A89 FMN 0.01829 0.40136 3.84615
91 4P5E N6P 0.04899 0.40188 3.94737
92 2AG4 OLA 0.003405 0.48909 4.26829
93 2AG4 LP3 0.003679 0.48909 4.26829
94 4H3P ANP 0.0000235 0.5829 4.34783
95 3LXK MI1 0.00008521 0.58143 4.34783
96 2WU6 DKI 0.0002108 0.55311 4.34783
97 4N70 2HX 0.0004735 0.53025 4.34783
98 5BVE 4VG 0.0007507 0.50214 4.34783
99 5W10 CMP 0.0005841 0.49248 4.34783
100 4K3P ACE GLN LEU ALA LEU PHE 0.0005366 0.48034 4.34783
101 3QSB 743 0.0003678 0.47813 4.34783
102 4Q0L V14 0.002751 0.47104 4.34783
103 1LSH PLD 0.002173 0.46985 4.34783
104 4EUU BX7 0.000854 0.46477 4.34783
105 3NKS ACJ 0.001069 0.46476 4.34783
106 1U6R ADP 0.001673 0.46074 4.34783
107 5DQ8 FLF 0.005888 0.4548 4.34783
108 2OO8 RAJ 0.001791 0.44958 4.34783
109 4YLL 4E3 0.003405 0.44717 4.34783
110 3A16 PXO 0.001508 0.44663 4.34783
111 3TYZ XHP 0.005034 0.4463 4.34783
112 1RL4 BRR 0.007617 0.44215 4.34783
113 1YFS ALA 0.003939 0.42695 4.34783
114 4BKJ STI 0.004684 0.42477 4.34783
115 5UGH 8AJ 0.007351 0.4224 4.34783
116 3SXS PP2 0.004868 0.42228 4.34783
117 3HQP FDP 0.01243 0.41649 4.34783
118 2YKL NLD 0.003226 0.40813 4.34783
119 3SXF BK5 0.0397 0.40806 4.34783
120 3DBK RDF 0.01481 0.40763 4.34783
121 2HK5 1BM 0.007392 0.4022 4.34783
122 1OPB RET 0.002868 0.45065 4.47761
123 4QYN RTL 0.001998 0.45143 4.51128
124 4TW7 37K 0.001434 0.4682 4.6875
125 5ML3 DL3 0.004519 0.46393 4.69799
126 4OYA 1VE 0.003185 0.48101 4.8913
127 2X4Z X4Z 0.001435 0.47887 4.8913
128 3ALN ANP 0.002318 0.47249 4.8913
129 1VRP ADP 0.001139 0.4702 4.8913
130 3LVW GSH 0.002516 0.45462 4.8913
131 4JDI ANP 0.001685 0.44742 4.8913
132 3JU6 ANP 0.002827 0.4401 4.8913
133 1PJS SAH 0.009684 0.43534 4.8913
134 4ASE AV9 0.004641 0.42457 4.8913
135 2PUL ACP 0.02917 0.40929 4.8913
136 4V24 GYR 0.01187 0.40781 4.8913
137 2VEG PMM 0.006681 0.40655 4.8913
138 3FSM 2NC 0.04772 0.40019 4.8913
139 3KV8 FAH 0.01407 0.44142 5.03597
140 4FL3 ANP 0.0001398 0.53601 5.43478
141 5TO8 7FM 0.001167 0.50762 5.43478
142 2F57 23D 0.003459 0.45559 5.43478
143 4ZUL UN1 0.001314 0.43986 5.43478
144 3M6P BB2 0.0164 0.42574 5.43478
145 5OO5 UUA 0.008074 0.4291 5.64516
146 3EM0 CHD 0.00586 0.44137 5.7971
147 4ZSI 4R1 0.001983 0.43379 5.84795
148 5LJB RTL 0.005036 0.43112 5.92593
149 3ORK AGS 0.00001999 0.61692 5.97826
150 4E1Z 0MX 0.0001955 0.52738 5.97826
151 4B2Z P5S 0.001498 0.49393 5.97826
152 4G31 0WH 0.002529 0.46115 5.97826
153 3V8S 0HD 0.002226 0.45871 5.97826
154 3AD8 PYC 0.02021 0.42786 5.97826
155 3AD8 FAD 0.02021 0.42786 5.97826
156 3KRR DQX 0.01967 0.4189 5.97826
157 5F7Y GLC GAL NAG GAL FUC A2G 0.008362 0.41411 5.97826
158 5F7N NAG GAL FUC FUC A2G 0.01847 0.40382 5.97826
159 5XLY C2E 0.00004523 0.53912 6.01504
160 3CBC DBS 0.004585 0.40679 6.06061
161 1MHW BP4 CYS DAR TYR PEA 0.02203 0.40782 6.28571
162 1KGI T4A 0.0006381 0.48143 6.29921
163 1QY1 PRZ 0.003731 0.43622 6.32184
164 4ZS4 ATP 0.0002142 0.52672 6.52174
165 3PDT ADP 0.0003363 0.49497 6.52174
166 5UR1 YY9 0.005334 0.46016 6.52174
167 4JE7 BB2 0.0003207 0.46012 6.52174
168 4ITH RCM 0.003132 0.44174 6.52174
169 4U0I 0LI 0.004161 0.44029 6.52174
170 5L9O GOP 0.007599 0.43975 6.52174
171 3T1A 5MA 0.002081 0.42637 6.52174
172 4XL4 COA 0.02699 0.4012 6.52174
173 3FW4 CAQ 0.0116 0.41141 6.74157
174 5N87 N66 0.0004834 0.51815 7.02875
175 1Y57 MPZ 0.00003474 0.59146 7.06522
176 5MW8 ATP 0.00007951 0.55292 7.06522
177 4FG8 ATP 0.0002293 0.53555 7.06522
178 4L9I 8PR 0.0001215 0.53112 7.06522
179 2H8H H8H 0.001653 0.45175 7.06522
180 1UM0 FMN 0.01575 0.43368 7.06522
181 1BYG STU 0.005142 0.41934 7.06522
182 4P5Z Q7M 0.009694 0.41892 7.06522
183 3LTW HLZ 0.005667 0.41438 7.06522
184 5LXB 7A9 0.003908 0.40376 7.06522
185 3SAO DBH 0.0005072 0.44183 7.5
186 2YAB AMP 0.00004989 0.56279 7.6087
187 5L13 6ZE 0.0004226 0.51955 7.6087
188 4YZC STU 0.00132 0.48689 7.6087
189 2YNE NHW 0.01009 0.45034 7.6087
190 2YNE YNE 0.01009 0.45034 7.6087
191 5USZ SKE 0.002845 0.44662 7.6087
192 1U0A BGC BGC BGC BGC 0.005245 0.43988 7.6087
193 5MJA 7O3 0.002663 0.43521 7.6087
194 1VJY 460 0.005772 0.42991 7.6087
195 5M06 ADP 0.01061 0.40577 7.6087
196 2I6A 5I5 0.01147 0.40071 7.6087
197 3W9K MYR 0.005348 0.44392 7.91367
198 3GNI ATP 0.00005947 0.54794 8.15217
199 4GID 0GH 0.0009667 0.53711 8.15217
200 3GQI ACP 0.0002024 0.50253 8.15217
201 4OUC 5ID 0.002947 0.46788 8.15217
202 1ZM1 BGC BGC BGC 0.001462 0.44952 8.15217
203 4P8K 38C 0.006445 0.4356 8.15217
204 4P8K FAD 0.006293 0.4356 8.15217
205 4YZN 4K5 0.01083 0.42387 8.15217
206 4NST ADP 0.02248 0.40238 8.15217
207 2Y6Q I7T 0.02488 0.40008 8.15217
208 4WB6 ATP 0.00008129 0.5755 8.69565
209 1RE8 BD2 0.0002877 0.54672 8.69565
210 2GU8 796 0.0004536 0.5286 8.69565
211 2QCS ANP 0.0002232 0.52489 8.69565
212 3FHI ANP 0.000455 0.50631 8.69565
213 4QMN DB8 0.0007069 0.50582 8.69565
214 2Z7R STU 0.001222 0.49659 8.69565
215 4WB7 ATP 0.003169 0.48855 8.69565
216 3QCQ 3Q0 0.002075 0.47993 8.69565
217 2QHS OCA 0.00288 0.46696 8.69565
218 5HV7 RBL 0.0003458 0.45632 8.69565
219 5LMK 6ZK 0.003476 0.4563 8.69565
220 4BCM T7Z 0.005465 0.40495 8.69565
221 4F9C 0SX 0.000112 0.52656 9.02778
222 4QTB 38Z 0.0001946 0.57029 9.23913
223 4NS3 NAD 0.001075 0.44729 9.23913
224 5AFN L0B 0.0009383 0.50941 9.78261
225 5HES 032 0.00202 0.45402 9.78261
226 4WOE ADP 0.01122 0.42271 9.78261
227 3IWJ NAD 0.002288 0.4034 9.78261
228 4M69 ANP 0.0001212 0.53952 10.3261
229 5IQD RIO 0.000456 0.51672 10.3261
230 5IQD GNP 0.0004356 0.51672 10.3261
231 5DEY 59T 0.001382 0.5118 10.3261
232 3NW7 LGV 0.00445 0.47381 10.3261
233 4WNK 453 0.001693 0.47263 10.3261
234 4F4P 0SB 0.005314 0.4591 10.3261
235 3SRV S19 0.00585 0.45048 10.3261
236 3RI1 3RH 0.002833 0.44863 10.3261
237 2PVF ACP 0.008595 0.42654 10.3261
238 2GQS C2R 0.02341 0.41617 10.3261
239 2GQS ADP 0.008966 0.41529 10.3261
240 3THR C2F 0.01378 0.40624 10.3261
241 3DZ6 M8E 0.002598 0.42931 10.4478
242 5EOB 5QQ 0.0000452 0.57086 10.8696
243 5C03 AGS 0.00007429 0.55667 10.8696
244 3KJS NAP 0.004526 0.48753 10.8696
245 3C0G 3AM 0.0003733 0.48684 10.8696
246 1IF7 SBR 0.0125 0.45848 10.8696
247 3QF7 ANP 0.03121 0.40405 10.8696
248 1NXJ TLA 0.01432 0.44422 10.929
249 5UIU 8CG 0.00003322 0.61563 11.413
250 3UDZ ADP 0.00002884 0.58336 11.413
251 2W5P CL8 0.0000346 0.56747 11.413
252 3H0L ADP 0.004489 0.41574 11.413
253 4H2W 5GP 0.002731 0.43518 11.6505
254 4H2W AMP 0.007967 0.43414 11.6505
255 4H2V AMP 0.01052 0.43452 11.8182
256 1ZY5 ANP 0.0001346 0.52092 11.9565
257 4MIB 28M 0.002729 0.47851 11.9565
258 2XCG XCG 0.004663 0.4615 11.9565
259 1OPK P16 0.002823 0.45843 11.9565
260 5XS3 VAL ARG SER ARG ARG CYS LEU ARG LEU 0.006687 0.46444 12.2449
261 4NFN 2KC 0.0005567 0.47825 12.5
262 4C2W ANP 0.003943 0.45905 12.5
263 4C2V YJA 0.015 0.40133 12.5
264 1MDC PLM 0.0001549 0.52134 12.8788
265 4CQE CQE 0.000924 0.46329 13.0435
266 4QAC KK3 0.005417 0.43749 13.0435
267 4HWT 1B2 0.01311 0.40445 13.0435
268 2WME NAP 0.0004493 0.46225 13.587
269 4O1P ANP 0.02098 0.40852 13.587
270 5MY8 RXZ 0.0006122 0.47878 14.1304
271 5VCV 1N1 0.002785 0.45203 14.1304
272 5JFS 6K0 0.01202 0.45077 14.1304
273 5T8U LPA 0.001665 0.46443 14.6739
274 5CEO 50D 0.002138 0.44503 14.6739
275 1M15 ADP 0.01567 0.4233 14.6739
276 1M15 ARG 0.01567 0.4233 14.6739
277 5VNF VAL THR SER VAL VAL 0.004259 0.40058 14.6739
278 4F7E 0SH 0.003746 0.43479 15.3061
279 4A4X JUP 0.003497 0.44709 16.3043
280 5LYH 7B8 0.01763 0.401 16.3043
281 4L4V 1VY 0.006655 0.40424 16.8478
282 5JGA 6KC 0.007167 0.41865 17.3913
283 1NCQ W11 0.005419 0.44904 17.6471
284 5HQ0 LZ9 0.000277 0.53229 17.8571
285 3MVH WFE 0.001351 0.48472 17.9348
286 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.003956 0.46317 17.9348
287 2JDR L20 0.003956 0.46317 17.9348
288 5DRB 5FJ 0.0003464 0.53601 18.4783
289 4WVO 3UZ 0.001842 0.4775 18.4783
290 4WUP 3UF 0.0009674 0.4969 19.5652
291 5LVP ATP 0.000021 0.56626 20
292 5DMZ ADP 0.00006385 0.55257 20.1087
293 4UUG PXG 0.02771 0.40932 21.1957
294 3JQ3 ADP 0.004981 0.42988 21.7391
295 5LI1 ANP 0.00005934 0.55789 23.3696
296 3ZJX BOG 0.00001536 0.44718 24.4565
297 5UKL SIX 0.001293 0.48817 30.9783
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