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Receptor
PDB id Resolution Class Description Source Keywords
2VQ5 2.09 Å EC: 4.2.1.78 X-RAY STRUCTURE OF NORCOCLAURINE SYNTHASE FROM THALICTRUM FLAVUM IN COMPLEX WITH DOPAMINE AND HYDROXYBENZALDEHYDE THALICTRUM FLAVUM LYASE NORCOCLAURINE SYNTHASE S- NORCOCLAURINE BIOSYNTHESIS DOPAMINE HYDROXYBENZALDEHYDE
Ref.: STRUCTURAL BASIS OF ENZYMATIC S-NORCOCLAURINE BIOSYNTHESIS. J.BIOL.CHEM. V. 284 897 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT A:1198;
A:1199;
Invalid;
Invalid;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
CL A:1200;
A:1201;
A:1202;
B:1195;
B:1196;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
35.453 Cl [Cl-]
HBA A:1203;
B:1198;
Valid;
Valid;
none;
none;
submit data
122.121 C7 H6 O2 c1cc(...
LDP B:1197;
Valid;
none;
submit data
153.178 C8 H11 N O2 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2VQ5 2.09 Å EC: 4.2.1.78 X-RAY STRUCTURE OF NORCOCLAURINE SYNTHASE FROM THALICTRUM FLAVUM IN COMPLEX WITH DOPAMINE AND HYDROXYBENZALDEHYDE THALICTRUM FLAVUM LYASE NORCOCLAURINE SYNTHASE S- NORCOCLAURINE BIOSYNTHESIS DOPAMINE HYDROXYBENZALDEHYDE
Ref.: STRUCTURAL BASIS OF ENZYMATIC S-NORCOCLAURINE BIOSYNTHESIS. J.BIOL.CHEM. V. 284 897 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2VQ5 - HBA C7 H6 O2 c1cc(ccc1C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2VQ5 - HBA C7 H6 O2 c1cc(ccc1C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2VQ5 - HBA C7 H6 O2 c1cc(ccc1C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: HBA; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 HBA 1 1
2 4VP 0.481481 0.733333
3 HQE 0.428571 0.857143
4 EN1 0.411765 0.619048
5 HC4 0.411765 0.764706
Ligand no: 2; Ligand: LDP; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 LDP 1 1
2 AEH 0.512821 0.757576
3 AED 0.408163 0.742857
4 AEF 0.4 0.793103
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2VQ5; Ligand: LDP; Similar sites found with APoc: 33
This union binding pocket(no: 1) in the query (biounit: 2vq5.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 5IXG OTP None
2 5WRE 7TL None
3 5FPX GLY SER SER HIS HIS HIS HIS HIS 1.76991
4 1Y9Q MED 2.08333
5 1YRX FMN 2.47934
6 4MO4 ACP 2.48756
7 5JFS 6K0 2.98507
8 6HTO 5AD 3.48259
9 6HTO MET 3.48259
10 3AY6 NAI 3.48259
11 1EWF PC1 3.48259
12 1ZP9 ATP 3.48259
13 6B21 C9V 3.48259
14 3FW4 CAQ 4.49438
15 1NWW HPN 4.69799
16 3KAL ADP 5.47264
17 2HFN FMN 5.88235
18 3SM2 478 6.06061
19 1QFT HSM 6.85714
20 3VMG 9CA 6.95652
21 3SLS 77D 6.96517
22 1XPM HMG 6.96517
23 1XPM CAA 6.96517
24 1ZHX HC3 6.96517
25 1MJJ HAL 7.46269
26 6C6O ENG 8.95522
27 4AP3 NAP 9.45274
28 4AP3 FAD 9.45274
29 3MF2 AMP 11.4428
30 4RYV ZEA 11.6129
31 4XIZ LPP 14.2857
32 3QP8 HL0 14.6739
33 4PSB GA3 38.0645
Pocket No.: 2; Query (leader) PDB : 2VQ5; Ligand: LDP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2vq5.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2VQ5; Ligand: HBA; Similar sites found with APoc: 135
This union binding pocket(no: 3) in the query (biounit: 2vq5.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 4QYN RTL None
2 5W10 CMP None
3 5TED SKM None
4 5DQ8 FLF 1.49254
5 5FPX GLY SER SER HIS HIS HIS HIS HIS 1.76991
6 1LN1 DLP 1.99005
7 5ML3 DL3 2.01342
8 3HKW IX6 2.48756
9 6B3P GLC GLC GLC GLC 2.48756
10 5HV0 AKG 2.48756
11 2QYK NPV 2.48756
12 1BGQ RDC 2.98507
13 4XDA RIB 2.98507
14 5KD6 6C7 2.98507
15 5H5A 6OU 2.98507
16 2IYA ZIO 2.98507
17 3C3N FMN 2.98507
18 3OVR 5SP 2.98507
19 5L92 C0R 2.98507
20 5ZZ6 NAD 2.98507
21 6CDG PRO GLY LEU TRP LYS SER 2.99401
22 1KGI T4A 3.14961
23 5L95 AMP 3.22581
24 1EWF PC1 3.48259
25 3SHZ 5CO 3.48259
26 5KEW 6SB 3.48259
27 2Q4H AMP 3.48259
28 3U3U EAH 3.48259
29 2AZ3 CDP 3.65854
30 2X2M X2M 3.82166
31 5LRT ADP 3.9801
32 3NYC IAR 3.9801
33 3NYC FAD 3.9801
34 2A1L PCW 3.9801
35 4AFH L0B 3.9801
36 1YKD CMP 3.9801
37 4NPL AKG 3.9801
38 3W21 AKG 3.9801
39 4OPC FDA 3.9801
40 6CLV 6MB 3.9801
41 6G9I CXX 4.16667
42 5D3X 4IP 4.19162
43 1GT4 UNA 4.40252
44 1DZK PRZ 4.4586
45 4QCK ASD 4.47761
46 5KJU 6TO 4.47761
47 3WDX BGC BGC GLC 4.47761
48 4X5S AZM 4.47761
49 4COQ SAN 4.47761
50 5HA0 LTD 4.48718
51 1QY1 PRZ 4.5977
52 2ZMF CMP 4.7619
53 4IAW LIZ 4.78723
54 5YU3 NAD 4.97512
55 5YU3 PRO 4.97512
56 4RFR RHN 4.97512
57 4OYA 1VE 4.97512
58 1XMY ROL 4.97512
59 2BHZ MAL 4.97512
60 1XMU ROF 4.97512
61 4IMG NGF 4.97512
62 5AWM ANP 4.97512
63 2AMT 1AA 5.03145
64 1KQW RTL 5.22388
65 5UMW RBF 5.29801
66 2YI0 YI0 5.47264
67 2IUW AKG 5.47264
68 1GP6 DH2 5.47264
69 1GP6 SIN 5.47264
70 5O9W AKG 5.47264
71 2I56 RNS 5.47264
72 2IPI AKY 5.47264
73 1UJ2 C5P 5.47264
74 1TW4 CHD 5.6
75 5FU3 BGC BGC BGC 5.66038
76 4ORR PE3 5.78947
77 3DER ALA LYS 5.97015
78 2YOO K2B 5.97015
79 5GZ9 ANP 5.97015
80 4YGF AZM 5.97015
81 1QD1 FON 5.97015
82 3ZL8 ADP 5.97015
83 5E2N V14 6.08365
84 1Y0G 8PP 6.28272
85 1Z03 OCH 6.46766
86 5Y72 DST 6.46766
87 6ADI 9UO 6.46766
88 2WA4 069 6.46766
89 1CSI OAA 6.46766
90 1CSI CMX 6.46766
91 5D9G GLU ASN LEU TYR PHE GLN 6.46766
92 3VMG 9CA 6.95652
93 3SLS 77D 6.96517
94 6FXR AKG 6.96517
95 4BVA T3 6.96517
96 4YHO 4CC 7.46269
97 5C3R AKG 7.46269
98 5C3R HMU 7.46269
99 5HCY 60D 7.46269
100 1SDW IYT 7.46269
101 5IM3 DTP 7.46269
102 4NFN 2KC 7.46269
103 3O0Q GDP 7.46269
104 3O0Q ADN 7.46269
105 4OIV XX9 7.46269
106 1LSH PLD 7.46269
107 2P8B NSK 7.46269
108 4D5B ACX 7.46269
109 2E56 MYR 7.63889
110 4MZU TYD 7.9602
111 3ZBQ GDP 8.45771
112 2B4R AES 8.45771
113 2B4R NAD 8.45771
114 4IPH 1FJ 8.94309
115 3STK PLM 9.09091
116 5H2D ERG 9.45274
117 4EN4 GT1 9.95025
118 4EN4 GT0 9.95025
119 4EN4 ATP 9.95025
120 1SIV PSI 10.101
121 1BZL GCG 10.4938
122 3EM0 CHD 10.8696
123 2F5Z FAD 10.9375
124 4XSU UDP 10.9453
125 5N0L ILE 11.9497
126 1DE6 RNS 12.4378
127 3QP6 HL6 13.4328
128 3OZ2 OZ2 13.4328
129 3THR C2F 14.4279
130 5KGS 6SR 14.4279
131 3QP8 HL0 14.6739
132 5EW9 5VC 14.9254
133 6FP4 FAD 16.4179
134 4V24 GYR 17.4129
135 3E85 BSU 19.6203
Pocket No.: 4; Query (leader) PDB : 2VQ5; Ligand: HBA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2vq5.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2VQ5; Ligand: HBA; Similar sites found with APoc: 293
This union binding pocket(no: 5) in the query (biounit: 2vq5.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 5AIG VPR None
2 2Z77 HE7 None
3 3ZO7 K6H None
4 2YJ0 420 None
5 2EWM NAD None
6 3MQG U5P None
7 3ZW2 GLA NAG GAL FUC None
8 3ZW2 NAG GAL FUC None
9 1FK5 OLA None
10 3ZW2 GAL FUC None
11 1YMT DR9 0.813008
12 4NZN 2OU 1.49254
13 4NZN ANP 1.49254
14 3GNE FLC 1.98413
15 4B0T ADP 1.99005
16 4TSK NDP 1.99005
17 4POO SAM 2
18 4K55 H6P 2.41935
19 1YRX FMN 2.47934
20 2JIG PD2 2.48756
21 4RPO T6C 2.48756
22 5CJF 520 2.48756
23 5EOB 5QQ 2.48756
24 4AZW ATP 2.48756
25 5XEG AKG 2.48756
26 2ZE9 PD7 2.48756
27 2GVJ DGB 2.48756
28 3UN3 G16 2.48756
29 6EWZ APC 2.48756
30 2HGS ADP 2.48756
31 5TZO 7V7 2.65957
32 1PN0 IPH 2.98507
33 4B2Z P5S 2.98507
34 3RGA LSB 2.98507
35 5F2T PLM 2.98507
36 6FE1 V14 2.98507
37 5KD6 LBU 2.98507
38 3ZXR P3S 2.98507
39 3ZXR IQ1 2.98507
40 2PCU ASP 2.98507
41 5ZCT ANP 2.98507
42 2FLI DX5 2.98507
43 4OTH DRN 2.98507
44 1REQ DCA 2.98507
45 4CQE CQE 2.98507
46 1PVN MZP 2.98507
47 3AMN CBI 2.98507
48 3AMN CBK 2.98507
49 2P7Q GG6 3.00752
50 2GJ5 VD3 3.08642
51 3A6T 8OG 3.10078
52 1OW4 2AN 3.10078
53 6FUL E7Z 3.48259
54 4MLO PAM 3.48259
55 3TKI S25 3.48259
56 2FB3 GTP 3.48259
57 5LXB 7A9 3.48259
58 3DGB MUC 3.48259
59 3O7U O7U 3.48259
60 2I6A 5I5 3.48259
61 2OBD 2OB 3.48259
62 5UIU 8CG 3.48259
63 1KZN CBN 3.48259
64 4O4F IHP 3.48259
65 4O4F ATP 3.48259
66 3AVR OGA 3.48259
67 6BYM HC3 3.48259
68 6EXF LYS 3.48259
69 5C1P ADP 3.48259
70 5C1P DAL DAL 3.48259
71 5CEO 50D 3.48259
72 2YG2 FLC 3.48837
73 2YG2 S1P 3.48837
74 3P7N FMN 3.48837
75 1N07 FMN 3.68098
76 6GNO XDI 3.7037
77 2GC0 PAN 3.7234
78 3VKC FPQ 3.84615
79 4WVO 3UZ 3.8674
80 3T50 FMN 3.90625
81 1HG4 LPP 3.94265
82 5FP3 3JI 3.9801
83 4O1Z MXM 3.9801
84 3HX3 RET 3.9801
85 2QZO KN1 3.9801
86 5A3T MMK 3.9801
87 6CQF F97 3.9801
88 5IVE 6E8 3.9801
89 2G3F IZC 3.9801
90 5NKB 8ZT 3.9801
91 1T27 PCW 3.9801
92 4K33 ACP 3.9801
93 4BG4 ADP 3.9801
94 3C0G 3AM 3.9801
95 4CD5 BMA MVL 3.9801
96 4DOO DAO 3.9801
97 4FE2 AIR 3.9801
98 2DXU BT5 3.9801
99 1TYU GLA MAN RAM TYV GLA MAN RAM TYV 3.9801
100 5MY8 RXZ 3.9801
101 5HZX 2GE 3.9801
102 1WPY BTN 3.9801
103 1TKK ALA GLU 3.9801
104 2PVF ACP 3.9801
105 5C1M 4VO 4
106 3NJQ NJQ 4.14508
107 4F9C 0SX 4.16667
108 4ELG 52J 4.21687
109 1QIN GIP 4.37158
110 1N5S ADL 4.46429
111 1ZB6 GST 4.47761
112 4OMJ 2TX 4.47761
113 4J36 1HR 4.47761
114 3W68 VIV 4.47761
115 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 4.47761
116 2JDR L20 4.47761
117 3TII ANP 4.47761
118 2VFT SOR 4.47761
119 4CCN OGA 4.47761
120 1KJ8 GAR 4.47761
121 1KJ8 ATP 4.47761
122 4O1P ANP 4.47761
123 4CCO OGA 4.47761
124 4J36 FAD 4.47761
125 4CCK OGA 4.47761
126 3Q8G PEE 4.47761
127 4OJ8 AKG 4.47761
128 2BMB PMM 4.47761
129 5GLT BGC GAL NAG GAL 4.47761
130 5W0N UPU 4.47761
131 6C92 EQJ 4.47761
132 3FW4 CAQ 4.49438
133 6GR0 F8W 4.5977
134 3MTX PGT 4.63576
135 1ULE GLA GAL NAG 4.66667
136 1NWW HPN 4.69799
137 1NB9 RBF 4.7619
138 1NB9 ADP 4.7619
139 3ILR SGN IXD 4.86486
140 3VHH VHH 4.87805
141 2AGC DAO 4.93827
142 4QDC ASD 4.97512
143 1AJ0 PH2 4.97512
144 1AJ0 SAN 4.97512
145 2CSN CKI 4.97512
146 3B1Q NOS 4.97512
147 3BXO UPP 4.97512
148 6C7Y ADP 4.97512
149 3E7O 35F 4.97512
150 6BXI ANP 4.97512
151 4GLW 0XT 4.97512
152 1XDN ATP 4.97512
153 2XK9 XK9 4.97512
154 2CXS F6P 4.97512
155 5A89 FMN 5.12821
156 5KWY C3S 5.26316
157 1OLM VTQ 5.47264
158 4YBN FAD 5.47264
159 1IA9 ANP 5.47264
160 3KDU NKS 5.47264
161 5X1M THG 5.47264
162 5X1M DHB 5.47264
163 4YZC STU 5.47264
164 2PUL ACP 5.47264
165 1EE0 CAA 5.47264
166 5X7Q GLC GLC GLC GLC GLC 5.47264
167 4JGP PYR 5.47264
168 1GP6 QUE 5.47264
169 2IO8 ADP 5.47264
170 5X7Q GLC GLC GLC GLC 5.47264
171 3O2K DST 5.47264
172 1EC9 XYH 5.47264
173 1I06 TZL 5.55556
174 3WG3 A2G GAL NAG FUC 5.61798
175 3SAO NKN 5.625
176 4H69 10Y 5.6701
177 5VGS 9A7 5.73248
178 4XV1 904 5.82192
179 2HFN FMN 5.88235
180 3E2M E2M 5.94595
181 5AE2 FAD 5.97015
182 5AE2 FYC 5.97015
183 5F3I 5UJ 5.97015
184 3TTI KBI 5.97015
185 6MPT C30 5.97015
186 3HY8 FMN 5.97015
187 6ES0 BW8 5.97015
188 2WQP WQP 5.97015
189 2IF8 ADP 5.97015
190 5W4W 9WG 5.97015
191 4KBA 1QM 5.97015
192 4ITH RCM 5.97015
193 5LVP ATP 5.97015
194 5X8Q 82R 6.20155
195 4WVW SLT 6.25
196 3E8T UQ8 6.36364
197 6FYL 3NG 6.46766
198 2QCS ANP 6.46766
199 6H36 FKE 6.46766
200 1RE8 BD2 6.46766
201 2QUN FUD 6.46766
202 2PZI AXX 6.46766
203 2XXP DSL 6.46766
204 2C29 NAP 6.46766
205 4H3P ANP 6.46766
206 4XCB AKG 6.46766
207 4XCB HY0 6.46766
208 1U18 HSM 6.48649
209 2CM4 RCL 6.66667
210 5I8T LAC 6.70391
211 1WUB OTP 6.74157
212 1QFT HSM 6.85714
213 3H22 B53 6.96517
214 4P10 2B8 6.96517
215 3JUQ AJD 7.02703
216 3JUQ AKD 7.02703
217 1LFO OLA 7.03125
218 1IDA 0PO 7.07071
219 1NMK SFM 7.27273
220 5OCG 9R5 7.40741
221 4WW8 VD9 7.46269
222 1MJJ HAL 7.46269
223 5HZ5 65X 7.46269
224 5JZJ AN2 7.46269
225 5EQY 5RA 7.46269
226 2B5W NAP 7.46269
227 4K3H 1OM 7.62712
228 4ZSD 7I6 7.92683
229 1ZM1 BGC BGC BGC 7.9602
230 5A65 TPP 7.9602
231 5EO8 TFU 7.9602
232 4FG8 ATP 7.9602
233 6CEN ACE GLY VAL NLE ARG ILE NH2 7.9602
234 2XEM SSV 8
235 4Y24 TD2 8.44156
236 3VQ2 LP4 LP5 MYR DAO 8.45771
237 1UNB PN1 8.45771
238 1UNB AKG 8.45771
239 1VA6 ADP 8.45771
240 1VA6 P2S 8.45771
241 6F9Q NAD 8.45771
242 4GYI ADP 8.45771
243 5EH0 5NW 8.45771
244 2XIQ MLC 8.45771
245 5I0U DCY 8.5
246 5LXT GTP 8.95522
247 1T36 ADP 8.95522
248 4M8E 29V 8.95522
249 3ALN ANP 8.95522
250 4NV7 COA 8.95522
251 5LXT ACP 8.95522
252 1KJM ALA GLN PHE SER ALA SER ALA SER ARG 9
253 1OGX EQU 9.16031
254 4EMJ FAD 9.34579
255 2VEG PMM 9.45274
256 1Y7P RIP 9.45274
257 3OYW TDG 9.70149
258 3N0Y APC 10.0559
259 4L3L 5FI 10.4478
260 4J7Q B7N 10.4478
261 2GPT TLA 10.9453
262 4RYV ZEA 11.6129
263 3KFF ZBT 11.7284
264 3KFF XBT 11.7284
265 4P42 PEE 11.9403
266 2YAK OSV 12.4378
267 3FW9 SLX 12.4378
268 5L2R MLA 12.4378
269 1TT8 PHB 12.8049
270 1EOM NAG MAN MAN MAN NAG GAL NAG GAL 12.9353
271 3PFG SAM 13.4328
272 3PFG TLO 13.4328
273 6CAY ERG 13.9303
274 3KF3 FRU 13.9303
275 3VPC ADP 13.9303
276 6D6L FY4 14.7059
277 1GQG DCD 14.9254
278 1D1T NAD 14.9254
279 1S4M LUM 14.9254
280 3Q60 ATP 16.9154
281 3GZ8 APR 17.9012
282 1MHC FME TYR PHE ILE ASN ILE LEU THR LEU 18.1818
283 6E2B PT7 18.4211
284 3RUG DB6 20.202
285 3G08 FEE 20.202
286 4QTB 38Z 20.398
287 3OJI PYV 21.164
288 2MAS PIR 21.8905
289 1OGA GLY ILE LEU GLY PHE VAL PHE THR LEU 23
290 3HUJ AGH 23.2323
291 4MNS 2AX 29.5597
292 4WB6 ATP 45
293 3UUD EST 46.1538
Pocket No.: 6; Query (leader) PDB : 2VQ5; Ligand: HBA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 2vq5.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
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