Receptor
PDB id Resolution Class Description Source Keywords
4O4Z 1.7 Å NON-ENZYME: TRANSPORT MURINE NEUROGLOBIN UNDER 30 BAR PRESSURE NITROUS OXIDE MUS MUSCULUS GLOBIN OXYGEN STORAGE-TRANSPORT PROTEIN COMPLEX
Ref.: CRYSTALLOGRAPHIC STUDIES WITH XENON AND NITROUS OXI PROVIDE EVIDENCE FOR PROTEIN-DEPENDENT PROCESSES IN MECHANISMS OF GENERAL ANESTHESIA ANESTHESIOLOGY V. 121 1018 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
N2O A:205;
A:206;
A:207;
A:204;
A:203;
Valid;
Valid;
Invalid;
Valid;
Valid;
none;
none;
none;
none;
none;
submit data
44.013 N2 O N#[N+...
HEM A:201;
Part of Protein;
none;
submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
SO4 A:202;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4O4Z 1.7 Å NON-ENZYME: TRANSPORT MURINE NEUROGLOBIN UNDER 30 BAR PRESSURE NITROUS OXIDE MUS MUSCULUS GLOBIN OXYGEN STORAGE-TRANSPORT PROTEIN COMPLEX
Ref.: CRYSTALLOGRAPHIC STUDIES WITH XENON AND NITROUS OXI PROVIDE EVIDENCE FOR PROTEIN-DEPENDENT PROCESSES IN MECHANISMS OF GENERAL ANESTHESIA ANESTHESIOLOGY V. 121 1018 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 199 families.
1 4O4Z - N2O N2 O N#[N+][O-]
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 166 families.
1 4O4Z - N2O N2 O N#[N+][O-]
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 141 families.
1 4O4Z - N2O N2 O N#[N+][O-]
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: N2O; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 N2O 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4O4Z; Ligand: N2O; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4o4z.bio1) has 2 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4O4Z; Ligand: N2O; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4o4z.bio1) has 7 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4O4Z; Ligand: N2O; Similar sites found: 122
This union binding pocket(no: 3) in the query (biounit: 4o4z.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1MT1 AG2 0.0002681 0.50555 None
2 1LRI CLR 0.00762 0.45724 None
3 5N8V KZZ 0.002252 0.45512 None
4 2OZ5 7XY 0.005718 0.43953 None
5 5KAU RHQ 0.01397 0.42763 None
6 3AQT RCO 0.0001332 0.42461 None
7 1NTV ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 0.01349 0.41579 None
8 2YLD CMO 0.003858 0.40829 None
9 3IS2 FAD 0.03968 0.40752 None
10 2QQC AG2 0.0003002 0.4073 None
11 1N13 AG2 0.0004955 0.40035 None
12 5AG3 3EB 0.003669 0.44308 1.94805
13 1G2N EPH 0.01772 0.43806 1.94805
14 3AHQ FAD 0.01738 0.42767 1.94805
15 2GFD RDA 0.02449 0.42363 1.94805
16 5N7O 69Y 0.002644 0.42076 1.94805
17 1QY8 RDI 0.02223 0.40946 1.94805
18 1U3R 338 0.01714 0.4093 1.94805
19 4J24 EST 0.01835 0.40913 1.94805
20 2GSU AMP 0.0136 0.40879 1.94805
21 3OLL EST 0.02842 0.40284 1.94805
22 3RV5 DXC 0.000504 0.42479 2.24719
23 5L7G 6QE 0.02021 0.42858 2.5974
24 3EBL GA4 0.02159 0.41651 2.5974
25 5SVV FMN 0.02546 0.40334 2.91971
26 4UY1 TJM 0.01812 0.40278 3.05344
27 3KXC PLM 0.005811 0.416 3.24675
28 5LNQ CAA 0.0205 0.4024 3.24675
29 4I4B 1CV 0.002738 0.44409 3.8961
30 3WYJ H78 0.01866 0.43836 3.8961
31 3BJC WAN 0.005504 0.42492 3.8961
32 4P6X HCY 0.03067 0.41305 3.8961
33 3FS1 MYR 0.007924 0.41051 3.8961
34 2OWZ CIT 0.01643 0.40617 3.8961
35 3KDU NKS 0.02884 0.40316 3.8961
36 5UI2 EQ3 0.01827 0.42115 4.54545
37 4YC9 4C1 0.01675 0.41966 4.54545
38 5X8Q 82R 0.01639 0.41946 4.54545
39 5I8F ML1 0.02579 0.41181 4.54545
40 4ZOM 4Q3 0.02654 0.41037 4.54545
41 1BGQ RDC 0.03867 0.40979 4.54545
42 4XB4 45D 0.007409 0.4272 4.60526
43 3D78 NBB 0.01481 0.40227 5.04202
44 4Q4K FMN 0.008362 0.41953 5.19481
45 3HY9 098 0.01865 0.41232 5.19481
46 4ZBR NPS 0.01045 0.41171 5.19481
47 4ZBR DIF 0.01091 0.41171 5.19481
48 5BYZ 4WE 0.0342 0.41157 5.19481
49 3G4G D71 0.02085 0.41156 5.19481
50 2GAG NAD 0.047 0.40788 5.19481
51 1M48 FRG 0.004645 0.40552 5.26316
52 5FH7 5XL 0.01221 0.42294 5.64516
53 2GTE VA 0.01643 0.42188 5.64516
54 1FM9 9CR 0.0005161 0.50418 5.84416
55 5D59 78M 0.009832 0.46178 5.84416
56 4M8E 29V 0.02917 0.4053 5.84416
57 4POJ 2VP 0.02672 0.40428 5.84416
58 1FM9 570 0.0226 0.4012 5.84416
59 2F59 INI 0.02627 0.40069 5.84416
60 1FDQ HXA 0.02462 0.41586 6.10687
61 4DRI RAP 0.006761 0.41351 6.12245
62 5B25 4QJ 0.01365 0.4415 6.49351
63 5F1R 42O 0.02359 0.42874 6.49351
64 5VZ0 2BA 0.003653 0.42762 6.49351
65 4KRG SAH 0.01507 0.40574 6.49351
66 4WUJ FMN 0.02246 0.40775 6.80272
67 5KOR GDP 0.001827 0.46555 7.14286
68 5LWY OLB 0.007221 0.42228 7.14286
69 1RJD SAM 0.01658 0.41293 7.14286
70 5LWY OLA 0.02717 0.40827 7.14286
71 3CV9 VDX 0.02354 0.40797 7.14286
72 4XRZ SI6 0.0363 0.40645 7.14286
73 5IF4 6AK 0.00386 0.45172 7.79221
74 2Q2Y MKR 0.0226 0.43604 7.79221
75 2Q2Y ADP 0.0226 0.43604 7.79221
76 2PX6 DH9 0.02139 0.42608 7.79221
77 5MES 7LT 0.002978 0.42221 7.79221
78 1ATL 0QI 0.01234 0.41471 7.79221
79 3H2B SAH 0.02387 0.40798 7.79221
80 5DXG EST 0.02503 0.4024 7.79221
81 2XN3 ID8 0.01136 0.40056 7.79221
82 2DYR TGL 0.01343 0.42021 8.16327
83 5CX8 TG6 0.00485 0.43287 8.44156
84 3DCT 064 0.01334 0.42402 8.44156
85 4RKK GLC GLC GLC GLC GLC GLC 0.02367 0.41242 8.44156
86 2FP2 TSA 0.0315 0.40443 8.44156
87 3SHZ 5CO 0.007942 0.41871 9.09091
88 5HGR 45D 0.02141 0.41441 9.09091
89 4IVG ANP 0.006436 0.45263 9.74026
90 4XDA ADP 0.01217 0.42304 9.74026
91 4XDA RIB 0.01217 0.42304 9.74026
92 3NJQ NJQ 0.01976 0.40919 9.74026
93 5EKO N17 0.02025 0.40813 9.74026
94 4RQL SNE 0.0105 0.40335 9.74026
95 3W68 VIV 0.01691 0.40223 9.74026
96 5U98 1KX 0.04786 0.40258 10.101
97 5C9J STE 0.03637 0.40186 10.101
98 5L2J 6UL 0.02948 0.40166 10.2041
99 2Q1H AS4 0.01539 0.4286 10.3896
100 5DKK FMN 0.02443 0.40302 11.0345
101 5K52 OCD 0.0008043 0.50905 11.039
102 5DX3 EST 0.01794 0.41628 11.039
103 3GFZ FMN 0.03248 0.41003 11.6883
104 2CE7 ADP 0.01071 0.42283 12.987
105 4RLT FSE 0.004679 0.41873 12.987
106 2RH1 CLR 0.04978 0.40706 12.987
107 4RC8 STE 0.008093 0.40525 12.987
108 4OMJ 2TX 0.04681 0.41439 13.6364
109 1OLM VTQ 0.03648 0.4129 13.6364
110 5IR4 ZPE 0.02981 0.42784 14.2857
111 4F97 GDP 0.01312 0.40248 14.2857
112 2WPX ACO 0.004403 0.45298 14.9351
113 4O6W ACE PRO LEU 2SO SER TPO NH2 0.03711 0.40312 16.8831
114 5DJT FMN 0.0259 0.40362 17.2414
115 3TW1 AHN 0.002501 0.42251 18.1818
116 3WCA FPS 0.03976 0.41185 19.4805
117 3B96 MYA 0.00514 0.45248 20.1299
118 5JFL NAD 0.02515 0.40935 22.0779
119 1SO2 666 0.03402 0.40086 24.6753
120 3PY5 AMP 0.01078 0.42156 25.3247
121 5MT9 SRO 0.006822 0.44387 30
122 5LJ0 6XX 0.02578 0.41098 30.7692
Pocket No.: 4; Query (leader) PDB : 4O4Z; Ligand: N2O; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 4o4z.bio1) has 6 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 4O4Z; Ligand: N2O; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 4o4z.bio1) has 6 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Feedback