Receptor
PDB id Resolution Class Description Source Keywords
1Z4V 2.3 Å EC: 3.2.1.18 PARAINFLUENZA VIRUS 5 (SV5) HEMAGGLUTININ-NEURAMINIDASE (HN) LIGAND DANA (SOAKED WITH DANA, PH 7.0) SIMIAN VIRUS 5 HEMAGGLUTININNEURAMINIDASEFUSIONTETRAMER HYDROLASE
Ref.: STRUCTURAL STUDIES OF THE PARAINFLUENZA VIRUS 5 HEMAGGLUTININ-NEURAMINIDASE TETRAMER IN COMPLEX WIT RECEPTOR, SIALYLLACTOSE. STRUCTURE V. 13 803 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:600;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
DAN A:601;
Valid;
none;
submit data
291.255 C11 H17 N O8 CC(=O...
NAG NAG A:2;
A:4;
Part of Protein;
Part of Protein;
none;
none;
submit data
408.404 n/a O=C(N...
NDG A:1;
Part of Protein;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1Z4V 2.3 Å EC: 3.2.1.18 PARAINFLUENZA VIRUS 5 (SV5) HEMAGGLUTININ-NEURAMINIDASE (HN) LIGAND DANA (SOAKED WITH DANA, PH 7.0) SIMIAN VIRUS 5 HEMAGGLUTININNEURAMINIDASEFUSIONTETRAMER HYDROLASE
Ref.: STRUCTURAL STUDIES OF THE PARAINFLUENZA VIRUS 5 HEMAGGLUTININ-NEURAMINIDASE TETRAMER IN COMPLEX WIT RECEPTOR, SIALYLLACTOSE. STRUCTURE V. 13 803 2005
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 25 families.
1 1Z4V - DAN C11 H17 N O8 CC(=O)N[C@....
2 1Z4X - SLT C23 H39 N O19 CC(=O)N[C@....
3 1Z4Z - DAN C11 H17 N O8 CC(=O)N[C@....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 21 families.
1 1Z4V - DAN C11 H17 N O8 CC(=O)N[C@....
2 1Z4X - SLT C23 H39 N O19 CC(=O)N[C@....
3 1Z4Z - DAN C11 H17 N O8 CC(=O)N[C@....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 14 families.
1 1Z4V - DAN C11 H17 N O8 CC(=O)N[C@....
2 1Z4X - SLT C23 H39 N O19 CC(=O)N[C@....
3 1Z4Z - DAN C11 H17 N O8 CC(=O)N[C@....
4 5B2D Kd = 56 uM SLT C23 H39 N O19 CC(=O)N[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DAN; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 DAN 1 1
2 9AM 0.767857 0.913043
3 4AM 0.661017 0.913043
4 ZMR 0.590909 0.792453
5 KFN 0.542373 0.704545
6 49A 0.507692 0.87234
7 0HX 0.454545 0.75
8 RP6 0.452055 0.934783
9 LNV 0.434211 0.701754
10 FSI 0.408451 0.82
11 SIA 0.4 0.911111
12 SLB 0.4 0.911111
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1Z4V; Ligand: DAN; Similar sites found: 219
This union binding pocket(no: 1) in the query (biounit: 1z4v.bio2) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3KPE TM3 0.00329 0.42421 None
2 1UO5 PIH 0.02536 0.41797 None
3 2QCX PF1 0.002625 0.42213 0.760456
4 3BRE C2E 0.002757 0.42752 1.11732
5 3UR0 SVR 0.006132 0.42688 1.16505
6 1H82 GZZ 0.008649 0.43131 1.27119
7 1H82 FAD 0.007797 0.4312 1.27119
8 3FC4 EDO 0.003041 0.4466 1.31579
9 2AQJ FAD 0.02232 0.41262 1.31579
10 2ZWS PLM 0.04967 0.40206 1.31579
11 2J07 FAD 0.02713 0.40271 1.42857
12 2J07 HDF 0.02713 0.40271 1.42857
13 2YVF FAD 0.00359 0.44798 1.47059
14 2YVF NAD 0.01378 0.4231 1.47059
15 1ZK7 FAD 0.002398 0.44497 1.49893
16 2Q1S NAI 0.005505 0.42794 1.59151
17 1C0I FAD 0.01705 0.40897 1.65289
18 1C0I BE2 0.01705 0.40897 1.65289
19 2V6O FAD 0.01989 0.42187 1.69173
20 1YBH FAD 0.01812 0.40258 1.69173
21 4K5S PM0 0.03023 0.40068 1.69173
22 4IVG ANP 0.03236 0.40014 1.69173
23 1SB8 UD2 0.007688 0.42851 1.70455
24 1SB8 NAD 0.007224 0.42647 1.70455
25 2ZX7 ZX7 0.0102 0.4036 1.75824
26 1R6D DAU 0.009727 0.42412 1.78042
27 1R6D NAD 0.0113 0.42206 1.78042
28 4QN6 LNV 0.003479 0.40995 1.79028
29 4QN7 G39 0.005009 0.40844 1.79487
30 2HXT EHM 0.002983 0.40135 1.81406
31 2VJJ RAM GLC GAL NAG NAG GLC 0.01718 0.41161 1.8797
32 1FP1 HCC 0.003925 0.40337 1.88172
33 2G86 UMP 0.01234 0.41737 1.89873
34 4R33 SAH 0.004013 0.423 1.90476
35 4R33 TRP 0.004013 0.423 1.90476
36 3WO0 ADP 0.001163 0.4485 1.91489
37 3WO0 ALA 0.001163 0.4485 1.91489
38 2XVE FAD 0.02666 0.41047 1.93966
39 3CQD ATP 0.01441 0.40476 1.94175
40 4N02 FNR 0.01089 0.42201 1.96078
41 4KQL 1SG 0.03079 0.4077 1.97368
42 2WQP WQP 0.006474 0.40677 2.00573
43 3SHR CMP 0.00168 0.41302 2.00669
44 1KW6 BPY 0.0117 0.42622 2.05479
45 4PLG NAI 0.01153 0.40876 2.09581
46 4PLG OXM 0.01153 0.40876 2.09581
47 3FPZ AHZ 0.03588 0.4123 2.14724
48 3ZY6 GFB 0.003196 0.41056 2.20994
49 4USQ FAD 0.005907 0.41738 2.21607
50 2GDZ NAD 0.004414 0.41752 2.24719
51 4O8A FAD 0.008527 0.40735 2.25564
52 1TIW FAD 0.01389 0.40641 2.25564
53 1TIW TFB 0.01389 0.40641 2.25564
54 2OD9 A1R NCA 0.003472 0.42168 2.27273
55 1M5B BN1 0.008357 0.42989 2.28137
56 4WX0 HXD 0.001025 0.42082 2.28137
57 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.01277 0.40986 2.30769
58 1JQI CAA 0.00621 0.40449 2.31959
59 4HA6 FAD 0.02308 0.40173 2.3622
60 3L0E G58 0.001645 0.43016 2.37154
61 3FC2 IBI 0.01176 0.4005 2.38806
62 2NLI FMN 0.02944 0.40191 2.44565
63 2NLI LAC 0.02944 0.40191 2.44565
64 3OND NAD 0.001929 0.4508 2.45902
65 3OND ADN 0.001929 0.4508 2.45902
66 2GSD NAD 0.01468 0.40236 2.48756
67 2IZ1 ATR 0.008042 0.40743 2.53165
68 4O1M NAD 0.005624 0.41332 2.53968
69 3TIC ZMR 0.003366 0.41023 2.55864
70 2RDT 2RD 0.017 0.42153 2.58398
71 2RDT FMN 0.0308 0.40386 2.58398
72 1RYI GOA 0.009335 0.41831 2.6178
73 1RYI FAD 0.009485 0.41802 2.6178
74 2CKM AA7 0.009047 0.41704 2.63158
75 3I0O SMI 0.0003553 0.45824 2.65487
76 3ZLM ANP 0.003566 0.40494 2.65957
77 1X1T NAD 0.017 0.42383 2.69231
78 4NE2 SH2 0.002413 0.43438 2.69461
79 4NE2 ADP 0.002574 0.43203 2.69461
80 1VDC FAD 0.006077 0.42966 2.7027
81 1Q0H NDP 0.004716 0.43433 2.70936
82 1Q0H FOM 0.01269 0.41441 2.70936
83 9LDB NAD 0.0063 0.41263 2.71084
84 9LDT NAD 0.006993 0.41081 2.71084
85 3ICC NAP 0.01264 0.40166 2.7451
86 1H6C NDP 0.01682 0.40199 2.77136
87 2XDQ MGX 0.001252 0.46681 2.82609
88 1G0N NDP 0.0107 0.41111 2.82686
89 2Q09 DI6 0.000346 0.44499 2.88462
90 1SQ5 PAU 0.0001009 0.47308 2.92208
91 4M5P 23W 0.02141 0.40013 2.9484
92 4GYW UDP 0.0109 0.40426 3.00752
93 4HZX G39 0.001979 0.43881 3.09278
94 2PT9 2MH 0.001959 0.43684 3.11526
95 1E7S NAP 0.00573 0.41553 3.11526
96 4NAT ADP 0.03517 0.41365 3.125
97 2P1M IHP 0.004469 0.41161 3.125
98 4IAE 1DX 0.008121 0.42553 3.1746
99 4N4J HG1 0.02015 0.40112 3.2
100 1H6W SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.01771 0.41104 3.20513
101 3ZEI AWH 0.001112 0.43992 3.22581
102 1IYE PGU 0.007996 0.40847 3.23625
103 3BLI ACO 0.005074 0.40463 3.2641
104 3D3W NAP 0.001204 0.44143 3.27869
105 1PR9 NAP 0.008711 0.40937 3.27869
106 2NX1 PEP 0.005498 0.411 3.37079
107 2NX1 RP5 0.005506 0.41097 3.37079
108 1ME8 RVP 0.04425 0.40813 3.37972
109 3RO7 TDR 0.00295 0.42168 3.39623
110 2WA4 069 0.001708 0.40775 3.4384
111 4F8L GAL 0.003447 0.46463 3.44828
112 2ZJ3 G6P 0.002968 0.40991 3.46667
113 3TN7 NJP 0.01095 0.40298 3.50195
114 4MP8 NAD 0.004113 0.42717 3.53982
115 4MP8 MLI 0.004113 0.42717 3.53982
116 1I7L ATP 0.002595 0.41756 3.55987
117 3Q9T FAY 0.0111 0.41044 3.57143
118 3MAG 3MA 0.007047 0.43854 3.58306
119 2XCG XCG 0.008633 0.40588 3.65385
120 3QQA TCH 0.004225 0.40769 3.7037
121 3LPF Z77 0.002313 0.42435 3.7594
122 1HEX NAD 0.005149 0.41212 3.76812
123 3S7O LBV 0.008093 0.40826 3.79009
124 1MDZ PLP 0.01009 0.40562 3.81679
125 3IU9 T07 0.01795 0.41612 3.81944
126 2R7K AMZ 0.04022 0.41581 3.87812
127 2R7K ACP 0.04022 0.41581 3.87812
128 2AMV BIN 0.003504 0.44151 3.94737
129 2YB9 HA0 0.007599 0.40809 3.94737
130 1DLJ UGA 0.01838 0.41072 3.9801
131 1DLJ NAI 0.02584 0.40436 3.9801
132 2IXB A2G 0.01828 0.40147 4.05405
133 3UEC ALA ARG TPO LYS 0.003021 0.43257 4.10959
134 1SSQ CYS 0.02441 0.40274 4.11985
135 4EPM AMP 0.006376 0.40246 4.13534
136 1Z44 NPO 0.002646 0.47079 4.14201
137 2Q8H TF4 0.0009178 0.47337 4.32331
138 2YFT DQR 0.0004614 0.43365 4.32331
139 2XK9 XK9 0.0007893 0.45285 4.34783
140 1SS4 GSH 0.0146 0.43326 4.57516
141 1RP0 AHZ 0.03939 0.40636 4.57746
142 3HF3 FMN 0.006604 0.40023 4.58453
143 2C7G ODP 0.01063 0.42393 4.60526
144 2C7G FAD 0.01104 0.42393 4.60526
145 2ZJF BSU 0.002031 0.40993 4.69613
146 3S6T OAN 0.003263 0.40434 4.69925
147 1I2B NAD 0.03198 0.40315 4.70297
148 1I2B UPG 0.03198 0.40315 4.70297
149 1I2B USQ 0.03198 0.40315 4.70297
150 2R14 TXD 0.007818 0.40886 4.77454
151 3BHO B4P 0.00146 0.47343 4.80769
152 1NZY BCA 0.005529 0.4109 4.83271
153 4I71 AGV 0.004716 0.40037 4.84848
154 3QDY CBS 0.004316 0.42562 4.8951
155 3QDT A2G GAL 0.02148 0.40006 4.8951
156 4FR3 0V4 0.01537 0.42522 5.12821
157 1D6H COA 0.005159 0.42912 5.16796
158 1KOL NAD 0.0124 0.40642 5.27638
159 1ULE GLA GAL NAG 0.004061 0.43398 5.33333
160 2BLE 5GP 0.02234 0.4126 5.44959
161 3TKA CTN 0.02456 0.42929 5.45113
162 4PO2 ASN ARG LEU LEU LEU THR GLY 0.003539 0.41399 5.53191
163 4B7J G39 0.002821 0.42472 5.54371
164 1UJ2 ADP 0.004063 0.41323 5.55556
165 4K30 NLG 0.004679 0.40619 5.625
166 2OFE NAG 0.007261 0.40935 5.6338
167 1Q11 TYE 0.003985 0.40899 5.64516
168 3WD1 ST7 0.01905 0.40526 5.76541
169 3W54 RNB 0.001115 0.41704 5.77508
170 1QRD FAD 0.006457 0.40225 5.86081
171 2H6T IVA VAL VAL STA ALA STA 0.001876 0.41332 5.88235
172 1I0Z OXM 0.003942 0.44253 6.00601
173 3OIG NAD 0.04097 0.40098 6.01504
174 3PFG SAM 0.003665 0.4324 6.08365
175 3PFG TLO 0.003665 0.4324 6.08365
176 2B82 ADN 0.002351 0.41565 6.16114
177 3U7Y FLC 0.004236 0.46126 6.19048
178 1TDF FAD 0.004779 0.43322 6.32911
179 1GSA ADP 0.005654 0.43099 6.32911
180 1TDF NAP 0.02813 0.41402 6.32911
181 1M7Y PPG 0.01121 0.40133 6.66667
182 2H8Z FMN 0.0001767 0.4716 6.68524
183 2H8Z 8CM 0.0001767 0.4716 6.68524
184 3GE7 AFQ 0.01311 0.40217 6.73575
185 3O2K DST 0.001707 0.42378 6.75105
186 3DNT ATP 0.004701 0.40759 6.81818
187 4TMK T5A 0.0116 0.44582 7.04225
188 2J8Z NAP 0.008478 0.40489 7.06215
189 2AE2 PTO 0.02147 0.40043 7.30769
190 2AE2 NAP 0.02147 0.40043 7.30769
191 1EP2 ORO 0.001713 0.43921 7.3955
192 1RM4 NDP 0.0222 0.41272 7.4184
193 2HMT NAI 0.02592 0.4028 7.63889
194 3U4C NDP 0.003238 0.42151 7.82918
195 1XE7 GUN 0.02386 0.40426 7.88177
196 1DR1 NAP 0.006507 0.41899 7.93651
197 1DR1 HBI 0.006507 0.41899 7.93651
198 1T8U UAP SGN IDS SGN 0.01761 0.40215 8.08823
199 1T0S BML 0.001968 0.44866 8.13953
200 3F81 STT 0.01279 0.41065 8.19672
201 1H8G CHT 0.01055 0.43854 8.42105
202 3S9K CIT 0.003515 0.47199 8.47458
203 1OAA OAA 0.009081 0.41881 8.49421
204 3T31 DCQ 0.00296 0.44943 8.69565
205 3T31 FAD 0.002794 0.44897 8.69565
206 4CS4 ANP 0.007225 0.41712 8.75912
207 4NES UDP 0.003766 0.40202 9.09091
208 1JYQ MAZ PTR PTM ASN 0.02864 0.40243 9.375
209 3VPD ANP 0.005422 0.40179 10.3203
210 3ZPG 5GP 0.0003493 0.4938 10.4712
211 4N7C AEF 0.01546 0.40069 10.7955
212 1BTN I3P 0.002257 0.48328 11.3208
213 2JAR UMP 0.00327 0.40635 13
214 2F59 INI 0.003742 0.40415 14.0127
215 1FIQ FAD 0.005309 0.41927 15.9817
216 2HV8 GTP 0.003056 0.41647 18.75
217 2V5E SCR 0.01694 0.41901 19.802
218 1Y75 NAG 0.00372 0.40495 27.1186
219 2GJ3 FAD 0.003006 0.41337 29.1667
Pocket No.: 2; Query (leader) PDB : 1Z4V; Ligand: DAN; Similar sites found: 99
This union binding pocket(no: 2) in the query (biounit: 1z4v.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1Q3Q ANP 0.000414 0.42093 0.93985
2 1FA2 DOM 0.00006332 0.40815 1.20482
3 3UXL CFI 0.0002226 0.44755 1.30548
4 1JQN DCO 0.00005382 0.42127 1.50376
5 5A2J ALA PRO ASP THR ARG PRO 0.03492 0.41799 1.63934
6 4LHM AZZ 0.01136 0.42255 1.81818
7 1ZFJ IMP 0.0002786 0.44783 1.83299
8 1JQ5 NAD 0.003255 0.42332 1.89189
9 2YP9 SIA CMO 0.0001674 0.46472 1.98807
10 4COQ SAN 0.03817 0.40282 2.02429
11 1PJ6 FOL 0.000006381 0.40582 2.06767
12 2YYJ FAD 0.002087 0.41314 2.079
13 2YYJ 4HP 0.002087 0.41314 2.079
14 1FX8 BOG 0.00026 0.45502 2.13523
15 3MMR ABH 0.0001972 0.42875 2.17918
16 1LTH NAD 0.0005763 0.41827 2.19436
17 1P4C FMN 0.001161 0.41353 2.25564
18 2IMP NAI 0.001563 0.41593 2.29645
19 1N6B DMZ 0.0004197 0.40247 2.32558
20 3LTW HLZ 0.02711 0.40993 2.5
21 1JA9 NDP 0.0003815 0.42977 2.55474
22 1T26 GBD 0.00002834 0.47878 2.79503
23 1T26 NAI 0.00002834 0.47878 2.79503
24 4M51 BEZ 0.03964 0.41222 2.81955
25 3VOZ 04A 0.001864 0.42317 2.85714
26 1EDO NAP 0.001334 0.41304 2.86885
27 2O66 FLC 0.02046 0.41083 2.96296
28 4G1V FAD 0.001128 0.42762 3.00752
29 4WVH ASP HIS ASP ALA HIS ALA 0.01911 0.4033 3.00752
30 4OYA 1VE 0.0006122 0.43778 3.19149
31 2Q37 3AL 0.005568 0.43672 3.31492
32 2VKL MLT 0.02952 0.43187 3.33333
33 1XX4 BAM 0.02531 0.40431 3.44828
34 1KTC NGA 0.02716 0.40077 3.45679
35 1OYB FMN 0.0009191 0.41503 3.5
36 1OYB HBA 0.001282 0.40064 3.5
37 4AF0 IMP 0.000387 0.41451 3.57143
38 4B9E FAH 0.03645 0.4087 3.65448
39 1O9U ADZ 0.02102 0.43284 3.71429
40 4KCF AKM 0.0002861 0.42026 3.74449
41 1A5Z OXM 0.00001038 0.59399 3.76176
42 1A5Z FBP 0.0007458 0.42945 3.76176
43 4PB2 5UD 0.002344 0.41556 3.77358
44 1F8F NAD 0.0006957 0.41253 3.77358
45 2JFV FLC 0.03712 0.40339 3.78007
46 2PR5 FMN 0.004973 0.40369 3.78788
47 4NVP 7CH 0.0001902 0.4093 3.82775
48 2ZO9 MLI 0.008642 0.41157 4.0146
49 2Z9V PXM 0.01433 0.41314 4.08163
50 1RSD PSB 0.009584 0.41619 4.13223
51 4Q3S X7A 0.00223 0.40076 4.15584
52 1DXY NAD 0.002556 0.41462 4.2042
53 1LDM NAD 0.0002256 0.43375 4.25532
54 3NKT 1HN 0.001311 0.40035 4.34783
55 1ZK4 NAP 0.0027 0.40847 4.78088
56 1ZK4 AC0 0.0027 0.40847 4.78088
57 1J2Z SOG 0.006714 0.40422 4.81482
58 3M0J OAF 0.0001814 0.40184 4.88599
59 2WK1 SAH 0.003707 0.40142 4.96454
60 3K9W 4PS 0.003763 0.41067 5.07519
61 3K9W ADE 0.003763 0.41067 5.07519
62 1T10 F6P 0.03382 0.40075 5.07519
63 2P8B NSK 0.0001476 0.4611 5.14905
64 1NU4 MLA 0.02097 0.40155 5.15464
65 1TUV VK3 0.03843 0.41884 5.26316
66 4ORR PE3 0.001198 0.40466 5.26316
67 1RZM E4P 0.03928 0.40709 5.32544
68 2NZ2 ASP 0.0006301 0.47313 5.32688
69 2NZ2 CIR 0.00002195 0.45489 5.32688
70 1GU3 BGC BGC BGC BGC BGC 0.0156 0.41151 5.36913
71 1G6O ADP 0.0009769 0.40817 5.45455
72 1NVU GTP 0.0004248 0.41888 5.61331
73 2IYG FMN 0.00428 0.42187 5.64516
74 1BDB NAD 0.00114 0.41647 5.77617
75 3PHQ KDO 0.01277 0.46474 5.85586
76 3OIG IMJ 0.0001347 0.41053 6.01504
77 5DRN 5CT 0.02025 0.43723 6.48148
78 2WL9 MBD 0.0002048 0.43255 6.55738
79 1SAY PYR 0.007063 0.40933 6.6482
80 1OMZ UD2 0.00006008 0.43339 6.82594
81 4CMF PXG 0.0005563 0.41184 6.8323
82 1VQ2 DDN 0.0002861 0.42903 7.25389
83 3NGU ADP 0.001711 0.43324 7.28477
84 1G7V PAI 0.0001483 0.41749 7.74648
85 1EB9 HBA 0.006698 0.414 8.01527
86 3NOJ PYR 0.009136 0.4243 8.82353
87 4DN8 BMA 0.02797 0.40928 8.97436
88 1TV5 A26 0.0012 0.4147 9.21053
89 1TV5 ORO 0.00726 0.40293 9.21053
90 4M7F BM3 0.0003634 0.48368 9.73451
91 1C1L GAL BGC 0.007289 0.44312 10.219
92 4F4S EFO 0.00728 0.42619 10.5263
93 3DUR KDO 0.003952 0.44352 10.7438
94 1EYE PMM 0.0081 0.41065 11.4286
95 4TSK NDP 0.001121 0.40803 11.4286
96 2X61 NGA GAL SIA 0.0002401 0.42799 12.0155
97 1WVC CTP 0.001994 0.41489 13.5135
98 1EXB NDP 0.0005717 0.42575 20.3883
99 2C1Q BTN 0.000142 0.41802 23.0159
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