2GF2

crystal structure of human hydroxyisobutyrate dehydrogenase

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 212
  • Norm. En. per Res.: -4.0771
• 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	-27.045	-25.2438	-56.4531	-108.7419	51	4	0	3057	1	12	7
A-C	-23.1718	33.1195	-184.183	-174.2353	72	15	3	7685	0	9	15
A-D	-107.4596	-0.6517	-691.746	-799.8573	212	20	34	30038	0	15	16
B-C	-115.8604	-33.3884	-715.101	-864.3498	212	21	35	31288	4	11	15
B-D	-23.8028	32.4044	-188.175	-179.5735	72	12	2	7735	0	8	14
C-D	-31.5505	-9.5741	-43.4883	-84.6129	47	3	0	2446	0	7	7

Interface residues

• A-B: ALA315A, ALA315B, ARG232A, ARG232B, ARG311A, ARG311B, ARG331A, ARG331B, CYS314A, CYS314B, GLN308A, GLN308B, GLN328A, GLN328B, GLU225A, GLU225B, GLU332A, GLU332B, GLU333A, GLU334A, GLY317A, GLY317B, ILE309A, ILE309B, LEU301A, LEU301B, LEU302A, LEU302B, LEU305A, LEU305B, LEU330A, LEU330B, LYS316A, LYS316B, LYS320B, MET312A, MET312B, MET313A, MET313B, PHE327A, PHE327B, PHE329A, PHE329B, SER304A, SER319A, SER319B, THR335A, TYR318A, TYR318B, VAL326A, VAL326B
• A-C: ALA283A, ALA283C, ALA289A, ALA289C, ALA293A, ALA293C, ALA306A, ALA306C, ALA315A, ALA315C, ARG311A, ARG311C, ASP291A, ASP291C, CYS314A, CYS314C, GLN290A, GLN290C, GLN308A, GLN308C, GLY287A, GLY287C, GLY303A, GLY303C, HIS307A, HIS307C, ILE300A, ILE300C, ILE309A, ILE309C, LEU286A, LEU286C, LEU288A, LEU288C, LEU301A, LEU301C, LEU302A, LEU302C, LEU305A, LEU305C, LYS284A, LYS284C, LYS297A, LYS297C, LYS316A, LYS316C, MET312A, MET312C, MET313A, MET313C, PHE329A, PHE329C, PRO299A, PRO299C, SER292A, SER292C, SER295A, SER295C, SER298A, SER298C, SER304A, SER304C, THR105A, THR105C, THR280A, THR280C, THR294A, THR294C, THR296A, THR296C, TYR310A, TYR310C
• A-D: ALA138A, ALA138D, ALA201A, ALA201D, ALA207A, ALA207D, ALA208A, ALA208D, ALA217A, ALA217D, ALA224A, ALA224D, ALA226A, ALA226D, ALA241A, ALA241D, ALA289A, ALA289D, ALA293A, ALA293D, ALA306A, ALA306D, ARG232A, ARG232D, ARG250A, ARG250D, ARG331A, ARG331D, ASN195A, ASN195D, ASN212A, ASN212D, ASN213A, ASN213D, ASN228A, ASN228D, ASN245A, ASN245D, ASN258D, ASP136A, ASP136D, ASP156D, ASP236A, ASP236D, ASP255A, ASP255D, ASP291A, ASP291D, CYS199A, CYS199D, CYS211A, CYS211D, CYS251A, CYS251D, GLN206A, GLN206D, GLN290A, GLN290D, GLN308A, GLN308D, GLU225A, GLU225D, GLU332A, GLU332D, GLY161A, GLY161D, GLY176A, GLY176D, GLY200A, GLY200D, GLY203A, GLY203D, GLY205A, GLY205D, GLY222A, GLY222D, GLY230A, GLY230D, GLY234A, GLY234D, GLY249A, GLY249D, GLY303A, GLY303D, HIS307A, HIS307D, ILE210A, ILE210D, ILE218A, ILE218D, ILE221A, ILE221D, ILE231A, ILE231D, ILE243A, ILE243D, ILE300A, ILE300D, ILE309A, ILE309D, LEU171A, LEU215A, LEU215D, LEU216A, LEU216D, LEU229A, LEU229D, LEU233A, LEU233D, LEU235A, LEU235D, LEU239A, LEU239D, LEU240A, LEU240D, LEU244A, LEU244D, LEU288A, LEU288D, LEU301A, LEU301D, LEU302A, LEU302D, LEU305A, LEU305D, LEU330A, LEU330D, LYS141A, LYS141D, LYS209A, LYS209D, LYS242A, LYS242D, LYS297A, LYS297D, MET174A, MET174D, MET214A, MET214D, MET220A, MET220D, MET227A, MET227D, MET246A, MET246D, MET282A, MET282D, MET312A, MET312D, PHE173A, PHE173D, PHE277D, PHE323A, PHE323D, PHE329A, PHE329D, PRO137A, PRO137D, PRO158D, PRO299A, PRO299D, SER160A, SER160D, SER194A, SER219A, SER219D, SER247A, SER247D, SER248A, SER248D, SER253A, SER253D, SER254A, SER254D, SER292A, SER292D, SER295A, SER295D, SER298A, SER298D, SER304A, SER304D, THR172A, THR172D, THR204A, THR204D, THR223A, THR223D, THR256A, THR256D, THR294A, THR294D, THR296A, THR296D, TRP252A, TRP252D, TYR198A, TYR198D, TYR257A, TYR257D, TYR310A, TYR310D, VAL175A, VAL175D, VAL196A, VAL196D, VAL197A, VAL197D, VAL202A, VAL202D, VAL326A, VAL326D
• B-C: ALA138B, ALA138C, ALA201B, ALA201C, ALA207B, ALA207C, ALA208B, ALA208C, ALA217B, ALA217C, ALA224B, ALA224C, ALA226B, ALA226C, ALA241B, ALA241C, ALA289B, ALA289C, ALA293B, ALA293C, ALA306B, ALA306C, ARG232B, ARG232C, ARG250B, ARG250C, ARG331B, ARG331C, ASN195B, ASN195C, ASN212B, ASN212C, ASN213B, ASN213C, ASN228B, ASN228C, ASN245B, ASN245C, ASN258B, ASP136B, ASP136C, ASP156B, ASP236B, ASP236C, ASP255B, ASP255C, ASP291B, ASP291C, CYS199B, CYS199C, CYS211B, CYS211C, CYS251B, CYS251C, GLN206B, GLN206C, GLN290B, GLN290C, GLN308B, GLN308C, GLU225B, GLU225C, GLU332B, GLY161B, GLY161C, GLY176B, GLY176C, GLY200B, GLY200C, GLY203B, GLY203C, GLY205B, GLY205C, GLY222B, GLY222C, GLY230B, GLY230C, GLY234B, GLY234C, GLY249B, GLY249C, GLY303B, GLY303C, HIS307B, HIS307C, ILE210B, ILE210C, ILE218B, ILE218C, ILE221B, ILE221C, ILE231B, ILE231C, ILE243B, ILE243C, ILE300B, ILE300C, ILE309B, ILE309C, LEU171B, LEU215B, LEU215C, LEU216B, LEU216C, LEU229B, LEU229C, LEU233B, LEU233C, LEU235B, LEU235C, LEU239B, LEU239C, LEU240B, LEU240C, LEU244B, LEU244C, LEU288B, LEU288C, LEU301B, LEU301C, LEU302B, LEU302C, LEU305B, LEU305C, LEU330B, LEU330C, LYS141B, LYS141C, LYS209B, LYS209C, LYS242B, LYS242C, LYS297B, LYS297C, MET174B, MET174C, MET214B, MET214C, MET220B, MET220C, MET227B, MET227C, MET246B, MET246C, MET282B, MET282C, MET312B, MET312C, MET313B, PHE173B, PHE173C, PHE277B, PHE323B, PHE323C, PHE329B, PHE329C, PRO137B, PRO137C, PRO158B, PRO158C, PRO299B, PRO299C, SER160B, SER160C, SER194B, SER219B, SER219C, SER247B, SER247C, SER248B, SER248C, SER253B, SER253C, SER254B, SER254C, SER292B, SER292C, SER295B, SER295C, SER298B, SER298C, SER304B, SER304C, THR172B, THR172C, THR204B, THR204C, THR223B, THR223C, THR256B, THR256C, THR294B, THR294C, THR296B, THR296C, TRP252B, TRP252C, TYR198B, TYR198C, TYR257B, TYR257C, TYR310B, TYR310C, VAL175B, VAL175C, VAL196B, VAL196C, VAL197B, VAL197C, VAL202B, VAL326B, VAL326C
• B-D: ALA283B, ALA283D, ALA289B, ALA289D, ALA293B, ALA293D, ALA306B, ALA306D, ALA315B, ALA315D, ARG311B, ARG311D, ASP291B, ASP291D, CYS314B, CYS314D, GLN290B, GLN290D, GLN308B, GLN308D, GLY287B, GLY287D, GLY303B, GLY303D, HIS307B, HIS307D, ILE300B, ILE300D, ILE309B, ILE309D, LEU286B, LEU286D, LEU288B, LEU288D, LEU301B, LEU301D, LEU302B, LEU302D, LEU305B, LEU305D, LYS284B, LYS284D, LYS297B, LYS297D, LYS316B, LYS316D, MET312B, MET312D, MET313B, MET313D, PHE329B, PHE329D, PRO299B, PRO299D, SER292B, SER292D, SER295B, SER295D, SER298B, SER298D, SER304B, SER304D, THR105B, THR105D, THR280B, THR280D, THR294B, THR294D, THR296B, THR296D, TYR310B, TYR310D
• C-D: ALA315C, ALA315D, ARG232C, ARG232D, ARG311C, ARG311D, ARG331C, ARG331D, ASN228C, ASN228D, CYS314C, GLN308C, GLN308D, GLN328C, GLN328D, GLU225C, GLU225D, GLU332D, GLU333D, GLY317C, ILE309C, ILE309D, LEU301C, LEU301D, LEU302C, LEU302D, LEU305C, LEU305D, LEU330C, LEU330D, LYS316C, LYS316D, MET312C, MET312D, MET313C, MET313D, PHE327C, PHE327D, PHE329C, PHE329D, SER304C, SER304D, SER319C, TYR318C, TYR318D, VAL326C, VAL326D