3PQA

crystal structure of glyceraldehyde-3-phosphate dehydrogenase gapn from methanocaldococcus jannaschii dsm 2661

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 101
  • Norm. En. per Res.: -4.441
• 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	-214.2699	-102.9796	-586.778	-904.0275	224	20	12	24542	5	88	92
A-C	-10.6196	-12.0221	-125.975	-148.6168	85	4	1	6463	2	30	37
A-D	-138.9662	-35.5895	-273.987	-448.5428	101	18	5	10406	0	54	29
B-C	-120.825	-36.3119	-278.388	-435.5249	102	14	5	10333	1	49	29
B-D	-20.9921	-19.858	-123.525	-164.3751	87	7	1	6611	2	28	39
C-D	-232.2215	-103.7368	-585.695	-921.6533	226	21	12	24523	5	88	94

Interface residues

• A-B: ALA233A, ALA233B, ALA262A, ALA262B, ALA398A, ALA398B, ALA411A, ALA411B, ALA465B, ARG122A, ARG122B, ARG127A, ARG127B, ARG128A, ARG128B, ARG428A, ARG428B, ARG444A, ARG444B, ASN215A, ASN215B, ASN389A, ASN389B, ASN402A, ASN413A, ASN413B, ASN422A, ASN422B, ASN431A, ASN431B, ASN456A, ASN456B, ASN52A, ASN52B, ASP120A, ASP120B, ASP255A, ASP423A, ASP423B, ASP430A, ASP430B, GLN429A, GLN429B, GLU115A, GLU115B, GLU129A, GLU129B, GLU212A, GLU212B, GLU227A, GLU227B, GLU241A, GLU241B, GLU392A, GLU412A, GLU412B, GLU415A, GLU415B, GLU452A, GLU452B, GLU453A, GLU453B, GLU48A, GLU48B, GLY226A, GLY226B, GLY234A, GLY234B, GLY417A, GLY417B, GLY418A, GLY418B, GLY435A, GLY435B, GLY436A, GLY436B, GLY441A, GLY441B, GLY443A, GLY443B, GLY446A, HIS396A, HIS396B, ILE117A, ILE117B, ILE124A, ILE124B, ILE229A, ILE229B, ILE238A, ILE238B, ILE385A, ILE385B, ILE399A, ILE399B, ILE404A, ILE404B, ILE421A, ILE421B, ILE457A, ILE457B, ILE460A, ILE460B, ILE461A, ILE461B, ILE462A, ILE462B, LEU104A, LEU123A, LEU123B, LEU228A, LEU228B, LEU240A, LEU240B, LEU242A, LEU242B, LEU395A, LEU395B, LEU408A, LEU408B, LEU414A, LEU414B, LEU442A, LEU442B, LYS224A, LYS224B, LYS231A, LYS231B, LYS232A, LYS232B, LYS236A, LYS236B, LYS237A, LYS237B, LYS258A, LYS258B, LYS265A, LYS265B, LYS409A, LYS409B, LYS438A, LYS438B, LYS439A, LYS439B, LYS448A, LYS448B, LYS458A, LYS458B, LYS464A, LYS464B, LYS47A, LYS47B, LYS51A, LYS51B, MET216A, MET216B, MET432A, MET432B, PHE125A, PHE125B, PHE235A, PHE235B, PHE400A, PHE400B, PHE410A, PHE410B, PHE416A, PHE416B, PHE427A, PHE427B, PHE434A, PHE434B, PRO118A, PRO118B, PRO130A, PRO130B, PRO433A, PRO433B, SER119A, SER119B, SER222A, SER222B, SER223A, SER223B, SER397A, SER397B, SER407A, SER407B, SER424A, SER424B, SER425A, SER425B, SER440A, SER440B, SER455A, SER455B, SER463A, SER463B, THR126A, THR126B, THR230A, THR230B, THR401A, THR401B, THR459A, THR459B, TYR108A, TYR108B, TYR393A, TYR393B, TYR449A, TYR449B, VAL116B, VAL131A, VAL131B, VAL210B, VAL225A, VAL225B, VAL419A, VAL419B, VAL420A, VAL420B, VAL437A, VAL437B
• A-C: ALA105C, ALA106A, ALA106C, ALA411A, ALA411C, ALA465C, ARG113A, ARG113C, ARG122A, ARG122C, ASN405A, ASN405C, ASN431A, ASN431C, ASP121A, ASP121C, ASP430A, ASP430C, GLN429A, GLN429C, GLU111A, GLU111C, GLU412A, GLU412C, GLU452C, GLU96C, GLY100A, GLY100C, GLY446A, GLY446C, HIS112A, HIS112C, ILE404A, ILE404C, ILE462A, ILE462C, ILE55A, ILE55C, ILE99A, ILE99C, LEU104A, LEU104C, LEU123A, LEU123C, LEU408A, LEU408C, LYS103A, LYS103C, LYS110A, LYS110C, LYS409A, LYS409C, LYS448A, LYS448C, LYS464A, LYS464C, LYS67A, LYS67C, LYS70A, LYS70C, MET432A, MET432C, MET63A, MET63C, PHE102C, PHE107A, PHE107C, PHE125A, PHE125C, PRO433A, PRO433C, SER407A, SER407C, SER463A, SER463C, TYR108A, TYR108C, TYR449A, TYR449C, TYR59A, TYR59C, VAL109A, VAL109C, VAL447A, VAL447C
• A-D: ALA254D, ARG113A, ARG113D, ARG122A, ARG122D, ARG127A, ARG127D, ARG128A, ARG128D, ARG58A, ARG58D, ASN402A, ASN402D, ASN405A, ASN405D, ASN422A, ASN422D, ASN52A, ASN52D, ASP114A, ASP114D, ASP120A, ASP120D, ASP121A, ASP121D, ASP253A, ASP253D, ASP255A, ASP255D, ASP403A, ASP403D, GLU111A, GLU111D, GLU115A, GLU115D, HIS112A, HIS112D, ILE117A, ILE117D, ILE124A, ILE124D, ILE399A, ILE399D, ILE404A, ILE404D, ILE421A, ILE421D, ILE460A, ILE460D, ILE462A, ILE462D, ILE55A, ILE55D, LEU123A, LEU123D, LEU251A, LEU251D, LEU408A, LEU408D, LEU53A, LEU53D, LYS110A, LYS110D, LYS258A, LYS258D, LYS406A, LYS406D, LYS464A, LYS464D, LYS57A, LYS57D, MET451A, MET451D, PHE107A, PHE107D, PHE125A, PHE125D, PHE400A, PHE400D, PRO118A, PRO118D, PRO54A, PRO54D, SER119A, SER119D, SER407A, SER407D, THR126A, THR126D, THR401A, THR401D, THR56A, THR56D, TYR108A, TYR108D, TYR59A, TYR59D, VAL109A, VAL109D, VAL116A, VAL116D
• B-C: ALA254B, ALA254C, ARG113B, ARG113C, ARG122B, ARG122C, ARG127B, ARG127C, ARG128B, ARG128C, ARG58B, ARG58C, ASN402B, ASN402C, ASN405B, ASN405C, ASN422B, ASN422C, ASN52B, ASN52C, ASP114B, ASP114C, ASP120B, ASP120C, ASP121B, ASP121C, ASP253B, ASP253C, ASP255B, ASP255C, ASP403B, ASP403C, GLU111B, GLU111C, GLU115B, GLU115C, HIS112B, HIS112C, ILE117B, ILE117C, ILE124B, ILE124C, ILE399B, ILE399C, ILE404B, ILE404C, ILE421B, ILE421C, ILE460B, ILE460C, ILE462B, ILE462C, ILE55B, ILE55C, LEU123B, LEU123C, LEU251B, LEU251C, LEU408B, LEU408C, LEU53B, LEU53C, LYS110B, LYS110C, LYS258B, LYS258C, LYS406B, LYS406C, LYS464B, LYS464C, LYS57B, LYS57C, MET451B, MET451C, PHE107B, PHE107C, PHE125B, PHE125C, PHE400B, PHE400C, PRO118B, PRO118C, PRO54B, PRO54C, SER119B, SER119C, SER407B, SER407C, THR126B, THR126C, THR401B, THR401C, THR56B, THR56C, TYR108B, TYR108C, TYR59B, TYR59C, VAL109B, VAL109C, VAL116B, VAL116C
• B-D: ALA105B, ALA105D, ALA106B, ALA106D, ALA411B, ALA411D, ALA465B, ALA465D, ARG113B, ARG113D, ARG122B, ARG122D, ASN405B, ASN405D, ASN431B, ASN431D, ASP121B, ASP121D, ASP430B, ASP430D, GLN429B, GLN429D, GLU111B, GLU111D, GLU412B, GLU412D, GLY100B, GLY100D, GLY446B, GLY446D, HIS112B, HIS112D, ILE404B, ILE404D, ILE462B, ILE462D, ILE55B, ILE55D, ILE99B, ILE99D, LEU104B, LEU104D, LEU123B, LEU123D, LEU408B, LEU408D, LYS103B, LYS103D, LYS110B, LYS110D, LYS406B, LYS409B, LYS409D, LYS448B, LYS448D, LYS464B, LYS464D, LYS67B, LYS67D, LYS70B, LYS70D, MET432B, MET432D, MET63B, MET63D, PHE102D, PHE107B, PHE107D, PHE125B, PHE125D, PRO433B, PRO433D, SER407B, SER407D, SER463B, SER463D, THR101D, TYR108B, TYR108D, TYR449B, TYR449D, TYR59B, TYR59D, VAL109B, VAL109D, VAL447B, VAL447D
• C-D: ALA233C, ALA233D, ALA262C, ALA262D, ALA398C, ALA398D, ALA411C, ALA411D, ALA465C, ALA465D, ARG122C, ARG122D, ARG127C, ARG127D, ARG128C, ARG128D, ARG428C, ARG428D, ARG444C, ARG444D, ASN215C, ASN215D, ASN389C, ASN389D, ASN402C, ASN402D, ASN413C, ASN413D, ASN422C, ASN422D, ASN431C, ASN431D, ASN456C, ASN456D, ASN52C, ASN52D, ASP120C, ASP120D, ASP255D, ASP423C, ASP423D, ASP430C, ASP430D, GLN429C, GLN429D, GLU115C, GLU115D, GLU129C, GLU129D, GLU212C, GLU212D, GLU227C, GLU227D, GLU241C, GLU392C, GLU412C, GLU412D, GLU415C, GLU415D, GLU445C, GLU445D, GLU452C, GLU452D, GLU453C, GLU453D, GLU48C, GLU48D, GLY226C, GLY226D, GLY234C, GLY234D, GLY417C, GLY417D, GLY418C, GLY418D, GLY435C, GLY435D, GLY436C, GLY436D, GLY441C, GLY441D, GLY443C, GLY443D, GLY446D, HIS396C, HIS396D, ILE117C, ILE117D, ILE124C, ILE124D, ILE229C, ILE229D, ILE238C, ILE238D, ILE276C, ILE276D, ILE399C, ILE399D, ILE404C, ILE404D, ILE421C, ILE421D, ILE457C, ILE457D, ILE460C, ILE460D, ILE461C, ILE461D, ILE462C, ILE462D, LEU104C, LEU123C, LEU123D, LEU228C, LEU228D, LEU240C, LEU240D, LEU242C, LEU242D, LEU395C, LEU395D, LEU408C, LEU408D, LEU414C, LEU414D, LEU442C, LEU442D, LYS224C, LYS224D, LYS231C, LYS231D, LYS232C, LYS232D, LYS236C, LYS236D, LYS237C, LYS237D, LYS258C, LYS258D, LYS265C, LYS265D, LYS409C, LYS409D, LYS438C, LYS438D, LYS439C, LYS439D, LYS448C, LYS448D, LYS458C, LYS458D, LYS464C, LYS464D, LYS47C, LYS47D, LYS51C, LYS51D, MET216D, MET432C, MET432D, PHE125C, PHE125D, PHE235C, PHE235D, PHE400C, PHE400D, PHE410C, PHE410D, PHE416C, PHE416D, PHE427C, PHE427D, PHE434C, PHE434D, PRO118C, PRO118D, PRO130C, PRO130D, PRO433C, PRO433D, SER119C, SER119D, SER222C, SER222D, SER223C, SER223D, SER397C, SER397D, SER407C, SER407D, SER424C, SER424D, SER425C, SER425D, SER440C, SER440D, SER455C, SER455D, SER463C, SER463D, THR126C, THR126D, THR230C, THR230D, THR401C, THR401D, THR459C, THR459D, TYR108C, TYR108D, TYR393C, TYR393D, TYR449C, TYR449D, VAL116D, VAL131C, VAL131D, VAL210D, VAL225C, VAL225D, VAL419C, VAL419D, VAL420C, VAL420D, VAL437C, VAL437D