1L7E

crystal structure of r. rubrum transhydrogenase domain i with bound nadh

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 180
  • Norm. En. per Res.: -2.9429
• Hub Node: A(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	-69.6872	-26.2563	-433.782	-529.7255	180	31	22	18203	0	31	22
A-C	-7.6011	-1.0567	-12.7726	-21.4304	13	0	0	695	1	10	12
B-C	-15.1031	-2.3017	-126.915	-144.3198	77	7	2	6020	0	18	28
C-D	-48.4989	-21.2883	-466.967	-536.7542	183	28	23	18764	0	29	22

Interface residues

• A-B: ALA131A, ALA144A, ALA153A, ALA157A, ALA159A, ALA166A, ALA167A, ALA173A, ALA189A, ALA191A, ALA196A, ALA328A, ALA329A, ALA331A, ALA336A, ALA43A, ALA443B, ALA449B, ALA49A, ALA531B, ALA544B, ALA553B, ALA557B, ALA559B, ALA566B, ALA567B, ALA573B, ALA589B, ALA591B, ALA596B, ALA728B, ALA729B, ALA731B, ALA736B, ARG147A, ARG158A, ARG193A, ARG326A, ARG415B, ARG547B, ARG558B, ARG593B, ARG726B, ASN142A, ASN338A, ASN341A, ASN542B, ASN738B, ASN741B, ASP135A, ASP14A, ASP151A, ASP330A, ASP414B, ASP448B, ASP48A, ASP535B, ASP551B, ASP730B, GLN132A, GLN140A, GLN186A, GLN532B, GLN540B, GLN586B, GLU155A, GLU21A, GLU421B, GLU555B, GLY145A, GLY152A, GLY168A, GLY195A, GLY287A, GLY314A, GLY40A, GLY42A, GLY442B, GLY545B, GLY552B, GLY568B, GLY595B, GLY687B, GLY714B, HIS320A, HIS720B, ILE136A, ILE150A, ILE291A, ILE309A, ILE445B, ILE45A, ILE536B, ILE550B, ILE709B, LEU143A, LEU194A, LEU334A, LEU339A, LEU543B, LEU594B, LEU734B, LEU739B, LYS192A, LYS285A, LYS316A, LYS337A, LYS425B, LYS592B, LYS685B, LYS716B, LYS737B, MET134A, MET162A, MET163A, MET164A, MET534B, MET562B, MET563B, MET564B, PHE156A, PHE160A, PHE335A, PHE556B, PHE560B, PHE735B, PRO161A, PRO171A, PRO172A, PRO286A, PRO324A, PRO333A, PRO561B, PRO571B, PRO572B, PRO686B, PRO724B, PRO733B, SER129A, SER133A, SER138A, SER139A, SER288A, SER325A, SER332A, SER444B, SER44A, SER529B, SER533B, SER538B, SER539B, SER541B, SER688B, SER725B, SER732B, THR165A, THR169A, THR190A, THR446B, THR46A, THR565B, THR569B, THR590B, TYR146A, TYR154A, TYR546B, TYR554B, VAL149A, VAL170A, VAL182A, VAL315A, VAL318A, VAL327A, VAL41A, VAL441B, VAL549B, VAL570B, VAL582B, VAL718B, VAL727B
• A-C: ALA1005C, ASP1160C, GLU1159C, GLU1161C, GLU209A, GLU21A, LEU1158C, LEU340A, LYS1157C, LYS24A, LYS25A, LYS337A, VAL22A
• B-C: ALA1173C, ALA1178C, ALA566B, ALA567B, ALA573B, ALA591B, ALA596B, ALA911C, ARG1170C, ARG574B, ARG906C, ARG927C, ARG930C, ASN905C, ASP1160C, ASP1171C, CYS1167C, GLU1159C, GLU1161C, GLU609B, GLU612B, GLU654B, GLU910C, GLY1165C, GLY1172C, GLY568B, GLY595B, GLY615B, GLY616B, HIS1176C, ILE1174C, ILE619B, ILE928C, LEU1158C, LEU1179C, LEU594B, LEU614B, LEU903C, LEU924C, LYS592B, LYS608B, LYS617B, LYS653B, LYS657B, LYS914C, LYS916C, MET562B, MET563B, MET564B, MET599B, MET925C, PHE560B, PHE618B, PRO1177C, PRO561B, PRO571B, PRO572B, PRO907C, PRO926C, SER1164C, SER613B, THR1162C, THR1166C, THR1169C, THR565B, THR569B, THR620B, THR913C, VAL1163C, VAL1168C, VAL1175C, VAL570B, VAL597B, VAL598B, VAL611B, VAL621B, VAL909C
• C-D: ALA1128C, ALA1129C, ALA1131C, ALA1136C, ALA1243D, ALA1331D, ALA1353D, ALA1357D, ALA1359D, ALA1366D, ALA1367D, ALA1373D, ALA1387D, ALA1389D, ALA1391D, ALA1396D, ALA1528D, ALA1529D, ALA1531D, ALA1536D, ALA843C, ALA849C, ALA931C, ALA944C, ALA953C, ALA957C, ALA959C, ALA966C, ALA967C, ALA973C, ALA983C, ALA987C, ALA989C, ALA991C, ALA996C, ARG1126C, ARG1330D, ARG1347D, ARG1358D, ARG1393D, ARG1526D, ARG815C, ARG947C, ARG958C, ARG993C, ASN1138C, ASN1141C, ASN1342D, ASN1538D, ASN1541D, ASN942C, ASP1130C, ASP1214D, ASP1335D, ASP1351D, ASP1530D, ASP814C, ASP847C, ASP935C, ASP951C, GLN1332D, GLN1340D, GLN1386D, GLN932C, GLN940C, GLN986C, GLU1221D, GLU1355D, GLU821C, GLU955C, GLY1087C, GLY1114C, GLY1242D, GLY1345D, GLY1352D, GLY1368D, GLY1395D, GLY1487D, GLY1514D, GLY840C, GLY842C, GLY945C, GLY952C, GLY968C, GLY995C, HIS1120C, HIS1520D, ILE1091C, ILE1109C, ILE1245D, ILE1336D, ILE1350D, ILE1460D, ILE1509D, ILE845C, ILE936C, ILE950C, LEU1134C, LEU1139C, LEU1343D, LEU1394D, LEU1534D, LEU1539D, LEU1540D, LEU943C, LEU985C, LEU994C, LYS1085C, LYS1116C, LYS1137C, LYS1392D, LYS1485D, LYS1516D, LYS1537D, LYS992C, MET1334D, MET1362D, MET1363D, MET1364D, MET934C, MET962C, MET963C, MET964C, PHE1135C, PHE1356D, PHE1360D, PHE1535D, PHE956C, PHE960C, PRO1086C, PRO1124C, PRO1133C, PRO1361D, PRO1371D, PRO1372D, PRO1486D, PRO1524D, PRO1533D, PRO820C, PRO961C, PRO971C, PRO972C, SER1088C, SER1125C, SER1132C, SER1244D, SER1329D, SER1333D, SER1338D, SER1339D, SER1488D, SER1525D, SER1532D, SER819C, SER844C, SER929C, SER933C, SER938C, SER939C, SER941C, THR1246D, THR1365D, THR1369D, THR1390D, THR846C, THR965C, THR969C, THR990C, TYR1346D, TYR1354D, TYR946C, TYR954C, VAL1118C, VAL1127C, VAL1349D, VAL1370D, VAL1382D, VAL1518D, VAL1527D, VAL841C, VAL949C, VAL970C, VAL982C