1PDW

crystal structure of human dj-1, p 1 21 1 space group

• Total interactions analyzed: 28
• Total true interactions: 7
• Strongest Interaction:
  • Chains: D-H
  • Int. Res.: 22
  • Norm. En. per Res.: -2.634
• Hub Node: C(2)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-59.0819	160.7335	-367.529	-265.8774	119	25	10	14669	2	31	37
C-D	-53.1765	145.3281	-360.265	-268.1134	121	13	10	14446	2	31	37
C-G	0.0	-2.604	-49.1813	-51.7853	37	3	1	2217	0	15	13
D-H	-10.5569	-4.7692	-42.6221	-57.9482	22	1	0	1523	1	8	7
E-F	-59.8388	152.0762	-371.224	-278.9866	121	16	10	14844	2	33	39
E-H	0.0	8.6513	-38.0834	-29.4321	41	1	0	1789	1	27	28
G-H	-54.9631	140.9209	-369.317	-283.3592	121	18	10	14741	2	35	40

Interface residues

• A-B: ALA14A, ALA183A, ALA214B, ALA229B, ALA29A, ALA383B, ARG145A, ARG156A, ARG227B, ARG228B, ARG248B, ARG27A, ARG28A, ARG345B, ARG356B, ARG48A, ASN144A, ASN276B, ASN344B, ASN76A, ASP224B, ASP249B, ASP24A, ASP255B, ASP49A, ASP55A, CYS106A, CYS246B, CYS253B, CYS306B, CYS46A, CYS53A, GLN245B, GLN45A, GLU143A, GLU15A, GLU163A, GLU16A, GLU18A, GLU215B, GLU216B, GLU218B, GLU343B, GLU363B, GLY157A, GLY159A, GLY230B, GLY275B, GLY30A, GLY357B, GLY359B, GLY75A, HIS126A, HIS326B, ILE105A, ILE21A, ILE221B, ILE252B, ILE305B, ILE52A, LEU10A, LEU128A, LEU185A, LEU187A, LEU210B, LEU328B, LEU385B, LEU387B, LYS182A, LYS188A, LYS382B, LYS388B, PHE162A, PHE362B, PRO127A, PRO158A, PRO184A, PRO222B, PRO243B, PRO254B, PRO327B, PRO358B, PRO384B, PRO43A, PRO54A, SER155A, SER161A, SER247B, SER355B, SER361B, SER47A, THR124A, THR125A, THR160A, THR19A, THR219B, THR324B, THR325B, THR360B, VAL181A, VAL186A, VAL20A, VAL220B, VAL223B, VAL225B, VAL233B, VAL235B, VAL23A, VAL244B, VAL250B, VAL251B, VAL25A, VAL33A, VAL35A, VAL381B, VAL386B, VAL44A, VAL50A, VAL51A
• C-D: ALA1014C, ALA1029C, ALA1183C, ALA1214D, ALA1229D, ALA1383D, ARG1027C, ARG1028C, ARG1048C, ARG1145C, ARG1156C, ARG1227D, ARG1228D, ARG1248D, ARG1345D, ARG1356D, ASN1076C, ASN1144C, ASN1276D, ASN1344D, ASP1024C, ASP1049C, ASP1055C, ASP1224D, ASP1242D, ASP1249D, ASP1255D, CYS1046C, CYS1053C, CYS1106C, CYS1246D, CYS1253D, CYS1306D, GLN1045C, GLN1245D, GLU1015C, GLU1016C, GLU1018C, GLU1143C, GLU1163C, GLU1215D, GLU1216D, GLU1218D, GLU1343D, GLU1363D, GLY1030C, GLY1075C, GLY1157C, GLY1159C, GLY1230D, GLY1275D, GLY1357D, GLY1359D, HIS1126C, HIS1326D, ILE1021C, ILE1052C, ILE1105C, ILE1221D, ILE1252D, ILE1305D, LEU1010C, LEU1128C, LEU1185C, LEU1187C, LEU1210D, LEU1328D, LEU1385D, LEU1387D, LYS1182C, LYS1188C, LYS1382D, LYS1388D, PHE1162C, PHE1362D, PRO1022C, PRO1043C, PRO1054C, PRO1127C, PRO1158C, PRO1184C, PRO1243D, PRO1254D, PRO1327D, PRO1358D, PRO1384D, SER1047C, SER1155C, SER1161C, SER1247D, SER1355D, SER1361D, THR1019C, THR1124C, THR1125C, THR1160C, THR1219D, THR1324D, THR1325D, THR1360D, VAL1008C, VAL1020C, VAL1023C, VAL1025C, VAL1033C, VAL1035C, VAL1044C, VAL1050C, VAL1051C, VAL1181C, VAL1186C, VAL1220D, VAL1223D, VAL1225D, VAL1233D, VAL1235D, VAL1244D, VAL1250D, VAL1251D, VAL1381D, VAL1386D
• C-G: ALA1002C, ALA1029C, ALA1178C, ALA1179C, ALA3002G, ALA3029G, ALA3178G, ALA3179G, ARG1028C, ARG3027G, ARG3028G, ASN1173C, ASN3173G, GLN1180C, GLN3180G, GLU1176C, GLU3176G, GLY1030C, GLY1174C, GLY3030G, GLY3174G, ILE1031C, ILE3031G, LEU1172C, LYS1004C, LYS1175C, LYS3004G, LYS3175G, LYS3182G, SER1003C, SER3003G, VAL1169C, VAL1177C, VAL1181C, VAL3169G, VAL3177G, VAL3181G
• D-H: ALA1329D, ALA3329H, ASN1335D, ASN3276H, ASN3335H, ASP1331D, ASP3331H, GLN3280H, GLY1336D, GLY1337D, GLY3336H, GLY3337H, HIS1338D, HIS3338H, LEU1328D, LEU3328H, LYS1330D, LYS1332D, LYS3330H, LYS3332H, THR1310D, THR3310H
• E-F: ALA2014E, ALA2029E, ALA2183E, ALA2214F, ALA2229F, ALA2383F, ARG2027E, ARG2028E, ARG2048E, ARG2145E, ARG2156E, ARG2227F, ARG2228F, ARG2248F, ARG2345F, ARG2356F, ASN2076E, ASN2144E, ASN2276F, ASN2344F, ASP2024E, ASP2049E, ASP2055E, ASP2189E, ASP2224F, ASP2249F, ASP2255F, CYS2046E, CYS2053E, CYS2106E, CYS2246F, CYS2253F, CYS2306F, GLN2045E, GLN2245F, GLU2015E, GLU2016E, GLU2018E, GLU2143E, GLU2163E, GLU2215F, GLU2216F, GLU2218F, GLU2343F, GLU2363F, GLY2030E, GLY2075E, GLY2157E, GLY2159E, GLY2230F, GLY2275F, GLY2357F, GLY2359F, HIS2126E, HIS2326F, ILE2021E, ILE2052E, ILE2105E, ILE2221F, ILE2252F, ILE2305F, LEU2010E, LEU2128E, LEU2185E, LEU2187E, LEU2190E, LEU2210F, LEU2328F, LEU2385F, LEU2387F, LYS2182E, LYS2188E, LYS2382F, LYS2388F, PHE2162E, PHE2362F, PRO2022E, PRO2043E, PRO2054E, PRO2127E, PRO2158E, PRO2184E, PRO2243F, PRO2254F, PRO2327F, PRO2358F, PRO2384F, SER2047E, SER2155E, SER2161E, SER2247F, SER2355F, SER2361F, THR2019E, THR2124E, THR2125E, THR2160E, THR2219F, THR2324F, THR2325F, THR2360F, VAL2020E, VAL2023E, VAL2025E, VAL2033E, VAL2035E, VAL2044E, VAL2050E, VAL2051E, VAL2181E, VAL2186E, VAL2220F, VAL2223F, VAL2225F, VAL2233F, VAL2235F, VAL2244F, VAL2250F, VAL2251F, VAL2381F, VAL2386F
• E-H: ALA2086E, ALA2087E, ARG2098E, ASN2097E, ASN3297H, ASP3349H, GLN2095E, GLU2059E, GLU2084E, GLU2090E, GLU2094E, GLU2096E, GLU2116E, GLU3296H, GLU3316H, GLY3318H, GLY3320H, GLY3336H, GLY3337H, GLY3350H, HIS3338H, ILE2091E, ILE2117E, ILE3317H, ILE3352H, LEU2092E, LEU3351H, LYS2062E, LYS2063E, LYS2089E, LYS2093E, LYS2099E, LYS3293H, LYS3299H, LYS3322H, PHE3319H, PRO2066E, SER2085E, SER3321H, THR3340H, TYR3339H
• G-H: ALA3014G, ALA3029G, ALA3183G, ALA3214H, ALA3229H, ALA3383H, ARG3027G, ARG3028G, ARG3048G, ARG3145G, ARG3156G, ARG3227H, ARG3228H, ARG3248H, ARG3345H, ARG3356H, ASN3076G, ASN3144G, ASN3276H, ASN3344H, ASP3024G, ASP3049G, ASP3055G, ASP3189G, ASP3224H, ASP3249H, ASP3255H, CYS3046G, CYS3053G, CYS3106G, CYS3246H, CYS3253H, CYS3306H, GLN3045G, GLN3245H, GLU3015G, GLU3016G, GLU3018G, GLU3143G, GLU3163G, GLU3215H, GLU3216H, GLU3218H, GLU3343H, GLU3363H, GLY3030G, GLY3075G, GLY3157G, GLY3159G, GLY3230H, GLY3275H, GLY3357H, GLY3359H, HIS3126G, HIS3326H, ILE3021G, ILE3052G, ILE3105G, ILE3221H, ILE3252H, ILE3305H, LEU3010G, LEU3128G, LEU3185G, LEU3187G, LEU3190G, LEU3210H, LEU3328H, LEU3385H, LEU3387H, LYS3182G, LYS3188G, LYS3382H, LYS3388H, PHE3162G, PHE3362H, PRO3022G, PRO3043G, PRO3054G, PRO3127G, PRO3158G, PRO3184G, PRO3222H, PRO3243H, PRO3254H, PRO3327H, PRO3358H, PRO3384H, SER3047G, SER3155G, SER3161G, SER3247H, SER3355H, SER3361H, THR3019G, THR3125G, THR3160G, THR3219H, THR3324H, THR3325H, THR3360H, VAL3020G, VAL3023G, VAL3025G, VAL3033G, VAL3035G, VAL3044G, VAL3050G, VAL3051G, VAL3181G, VAL3186G, VAL3220H, VAL3223H, VAL3225H, VAL3233H, VAL3235H, VAL3244H, VAL3250H, VAL3251H, VAL3381H, VAL3386H