3GD7

crystal structure of human nbd2 complexed with n6- phenylethyl-atp (p-atp)

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 60
  • Norm. En. per Res.: -2.2302
• Hub Node: A(3)

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	0.0	0.0	-38.4315	-38.4315	81	4	0	3010	0	17	19
A-C	0.0	33.3577	-145.839	-112.4813	81	4	2	6551	3	34	32
A-D	-18.5839	4.1022	-119.331	-133.8126	60	8	1	5073	0	15	11
B-C	0.0	7.7491	-129.535	-121.7859	68	8	3	5603	0	14	10
B-D	0.0	18.186	-126.495	-108.309	90	5	2	5765	0	30	35
C-D	0.0	8.3514	-38.4357	-30.0843	80	0	0	2656	0	15	17

Interface residues

• A-B: ALA1308A, ALA1308B, ALA1309A, ALA1309B, ALA1374A, ALA1402A, ARG1259A, ARG1259B, ARG1283A, ARG1283B, ARG1358A, ASN1224A, ASN1224B, ASN1262A, ASN1262B, ASN1307A, ASN1307B, ASP1341A, ASP1341B, GLN1281A, GLN1281B, GLU1221A, GLU1221B, GLU1280A, GLU1280B, GLU1371A, GLY1222A, GLY1222B, GLY1223A, GLY1223B, GLY1247A, GLY1247B, GLY1298B, GLY1342B, HIS1375A, ILE1226A, ILE1226B, LEU1260A, LEU1260B, LEU1261A, LEU1261B, LEU1279A, LEU1279B, LEU1339B, LYS1218A, LYS1218B, LYS1250A, LYS1284A, LYS1284B, LYS1292A, LYS1292B, LYS1302A, LYS1302B, PHE1294A, PHE1294B, PHE1296A, PHE1296B, PRO1290A, PRO1306A, PRO1306B, SER1248A, SER1251A, SER1251B, SER1255A, SER1297A, SER1297B, SER1362A, SER1362B, THR1220A, THR1220B, THR1246A, THR1246B, THR1252A, THR1263A, THR1263B, THR1278A, THR1278B, TYR1219A, TYR1219B, VAL1338B, VAL1340B
• A-C: ARG1385A, ARG1403A, ARG1403C, ARG1495A, ARG1495C, ARG1539A, ARG1539C, ARG1560A, ARG1560C, ASN1521A, ASN1521C, ASN1541A, ASN1541C, ASP1542A, ASP1542C, GLN1518A, GLN1518C, GLN1524A, GLN1524C, GLU1405A, GLU1405C, GLU1409A, GLU1409C, GLU1429A, GLU1429C, GLU1497A, GLU1497C, GLU1517A, GLU1517C, GLU1522A, GLU1522C, GLU1577A, GLU1577C, GLY1444A, GLY1444C, GLY1520A, GLY1520C, GLY1579A, GLY1579C, HIS1432A, HIS1432C, HIS1498A, HIS1498C, HIS1526C, ILE1404A, ILE1404C, ILE1427A, ILE1427C, ILE1443A, ILE1443C, LEU1408A, LEU1408C, LEU1428A, LEU1428C, LEU1519A, LEU1519C, LEU1545A, LEU1545C, LYS1389A, PRO1378C, PRO1446A, PRO1446C, PRO1496A, PRO1496C, PRO1578A, PRO1578C, SER1426A, SER1426C, SER1445A, SER1445C, THR1523A, THR1523C, TYR1431A, TYR1431C, VAL1515A, VAL1515C, VAL1516C, VAL1543A, VAL1543C, VAL1544A, VAL1544C
• A-D: ARG1325D, ARG1386D, ASP1341A, ASP1341D, ASP1377A, ASP1377D, CYS1344A, CYS1344D, GLN1330A, GLN1330D, GLU1329A, GLU1329D, GLY1323D, GLY1333D, GLY1342A, GLY1343A, GLY1349A, GLY1349D, HIS1348A, HIS1350A, HIS1350D, ILE1328A, ILE1328D, ILE1383A, ILE1383D, LEU1324A, LEU1324D, LEU1339A, LEU1346A, LEU1346D, LEU1353D, LYS1334D, LYS1351A, PHE1300A, PHE1300D, PHE1331A, PHE1331D, PHE1337A, PHE1337D, PRO1332A, PRO1332D, PRO1378A, PRO1378D, SER1326A, SER1326D, SER1347A, SER1347D, THR1380A, THR1380D, TRP1316D, VAL1327A, VAL1327D, VAL1338A, VAL1338D, VAL1340A, VAL1340D, VAL1345A, VAL1345D, VAL1379A, VAL1379D
• B-C: ARG1325B, ARG1386B, ASP1341B, ASP1341C, ASP1377B, ASP1377C, CYS1344B, CYS1344C, GLN1330B, GLN1330C, GLN1382B, GLU1329B, GLU1329C, GLY1323B, GLY1323C, GLY1333B, GLY1342C, GLY1343B, GLY1343C, GLY1349B, GLY1349C, HIS1348B, HIS1348C, HIS1350B, HIS1350C, ILE1328B, ILE1328C, ILE1383B, ILE1383C, LEU1324B, LEU1324C, LEU1339B, LEU1339C, LEU1346B, LEU1346C, LEU1353B, LEU1353C, LEU1376C, LYS1334B, LYS1351C, MET1354C, PHE1300B, PHE1300C, PHE1331B, PHE1331C, PHE1337B, PHE1337C, PRO1332B, PRO1332C, PRO1378B, PRO1378C, SER1326B, SER1326C, SER1347B, SER1347C, THR1380B, THR1380C, TYR1381C, VAL1327B, VAL1327C, VAL1338B, VAL1338C, VAL1340B, VAL1340C, VAL1345B, VAL1345C, VAL1379B, VAL1379C
• B-D: ALA1374B, ALA1374D, ALA1402B, ALA1406B, ALA1406D, ARG1403B, ARG1403D, ARG1495B, ARG1495D, ARG1539B, ARG1539D, ARG1560B, ARG1560D, ASN1521B, ASN1521D, ASN1541B, ASN1541D, ASP1377B, ASP1377D, ASP1542B, ASP1542D, CYS1410B, GLN1382D, GLN1518B, GLN1518D, GLN1524B, GLN1524D, GLN1540B, GLN1540D, GLU1371B, GLU1371D, GLU1405B, GLU1405D, GLU1409B, GLU1409D, GLU1429B, GLU1497B, GLU1497D, GLU1517B, GLU1517D, GLU1522B, GLU1522D, GLU1577D, GLY1444B, GLY1444D, GLY1520B, GLY1520D, GLY1579B, GLY1579D, HIS1375B, HIS1375D, HIS1432B, HIS1432D, HIS1498B, HIS1498D, ILE1404B, ILE1427B, ILE1427D, ILE1443B, ILE1443D, LEU1408B, LEU1408D, LEU1428B, LEU1428D, LEU1499D, LEU1519B, LEU1519D, PRO1378B, PRO1378D, PRO1446B, PRO1496B, PRO1496D, PRO1578B, PRO1578D, SER1373B, SER1373D, SER1426B, SER1426D, SER1445B, SER1445D, THR1523B, THR1523D, TYR1381D, TYR1431B, TYR1431D, VAL1515B, VAL1516B, VAL1516D, VAL1543B, VAL1544B
• C-D: ALA1308C, ALA1308D, ALA1309C, ALA1309D, ALA1374C, ALA1402C, ARG1245C, ARG1259C, ARG1259D, ARG1283C, ARG1283D, ARG1358C, ASN1224C, ASN1224D, ASN1262C, ASN1262D, ASN1307C, ASN1307D, ASP1341C, ASP1341D, ASP1370C, GLN1281C, GLN1281D, GLU1221C, GLU1221D, GLU1280C, GLU1280D, GLU1371C, GLY1222C, GLY1222D, GLY1223C, GLY1223D, GLY1247C, GLY1247D, GLY1249C, GLY1298D, GLY1342D, HIS1375C, ILE1226C, ILE1226D, LEU1260C, LEU1260D, LEU1261C, LEU1261D, LEU1279C, LEU1279D, LEU1339D, LYS1218C, LYS1250C, LYS1284C, LYS1284D, LYS1292C, LYS1292D, LYS1302C, LYS1302D, PHE1294C, PHE1294D, PHE1296C, PHE1296D, PRO1306C, PRO1306D, SER1248C, SER1251C, SER1251D, SER1255C, SER1297C, SER1297D, SER1362C, THR1220C, THR1220D, THR1246C, THR1246D, THR1252C, THR1263C, THR1278C, THR1278D, TYR1219C, TYR1219D, VAL1338D, VAL1340D