3INM

crystal structure of human cytosolic nadp(+)-dependent isocitrate dehydrogenase r132h mutant in complex with nadph, alpha-ketoglutarate and calcium(2+)

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 297
  • Norm. En. per Res.: -4.7911
• 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	-349.7709	6.1659	-1079.36	-1422.965	297	62	33	43473	12	125	138
A-C	-5.7839	-3.2147	-15.9615	-24.9602	27	2	0	1005	0	7	8
B-C	-14.1254	-16.4914	-58.0452	-88.662	48	3	1	2678	1	32	30

Interface residues

• A-B: ALA141A, ALA141B, ALA179A, ALA179B, ALA256A, ALA256B, ALA258A, ALA258B, ALA282A, ALA282B, ALA308A, ALA308B, ALA378A, ALA378B, ARG100A, ARG100B, ARG109A, ARG109B, ARG119A, ARG119B, ARG140A, ARG140B, ARG222A, ARG222B, ARG249A, ARG249B, ARG314A, ARG314B, ARG49A, ARG49B, ARG82A, ARG82B, ASN101B, ASN171A, ASN171B, ASN184A, ASN184B, ASN213A, ASN213B, ASN271A, ASN271B, ASN96A, ASN96B, ASP137A, ASP137B, ASP143A, ASP143B, ASP160A, ASP160B, ASP186A, ASP186B, ASP220A, ASP220B, ASP225A, ASP225B, ASP252A, ASP252B, ASP253A, ASP253B, ASP273A, ASP273B, ASP275A, ASP275B, ASP279A, ASP279B, ASP375A, ASP375B, ASP79A, ASP79B, CYS379A, CYS379B, GLN138A, GLN138B, GLN163B, GLN185A, GLN185B, GLN228A, GLN228B, GLN257A, GLN257B, GLN277A, GLN277B, GLN283A, GLN283B, GLN90A, GLN90B, GLU153A, GLU153B, GLU173A, GLU173B, GLU174A, GLU174B, GLU247A, GLU247B, GLU262A, GLU262B, GLU80A, GLU80B, GLY123A, GLY123B, GLY148A, GLY148B, GLY150A, GLY150B, GLY161A, GLY161B, GLY175A, GLY175B, GLY176A, GLY176B, GLY177A, GLY177B, GLY181A, GLY181B, GLY221A, GLY221B, GLY274A, GLY274B, GLY284A, GLY284B, GLY286A, GLY286B, GLY310A, GLY310B, GLY97A, GLY97B, HIS133A, HIS133B, HIS170A, HIS170B, HIS248A, HIS248B, HIS309A, HIS309B, HIS315A, HIS315B, ILE154A, ILE154B, ILE189A, ILE189B, ILE215A, ILE215B, ILE226A, ILE226B, ILE251A, ILE251B, ILE76A, ILE76B, LEU120A, LEU120B, LEU168A, LEU168B, LEU216A, LEU216B, LEU250A, LEU250B, LEU288A, LEU288B, LEU383A, LEU383B, LEU88B, LYS151A, LYS151B, LYS164A, LYS164B, LYS187A, LYS187B, LYS212A, LYS212B, LYS217A, LYS217B, LYS218A, LYS218B, LYS224A, LYS224B, LYS260A, LYS260B, LYS270A, LYS270B, LYS81A, LYS81B, LYS93A, LYS93B, MET180A, MET180B, MET182A, MET182B, MET254A, MET254B, MET259A, MET259B, MET91A, MET91B, PHE144A, PHE144B, PHE172A, PHE172B, PHE223A, PHE223B, PRO118A, PRO118B, PRO147A, PRO147B, PRO149A, PRO149B, PRO158A, PRO158B, PRO384A, PRO384B, PRO78A, PRO78B, PRO95A, PRO95B, SER122A, SER122B, SER159A, SER159B, SER188A, SER188B, SER210A, SER210B, SER261A, SER261B, SER278A, SER278B, SER280A, SER280B, SER287A, SER287B, SER94A, SER94B, THR142A, THR142B, THR155A, THR155B, THR157A, THR157B, THR162A, THR166A, THR166B, THR211A, THR211B, THR214A, THR214B, THR311B, THR313A, THR313B, THR77A, THR77B, THR98A, THR98B, TRP124A, TRP124B, TRP267A, TRP267B, TRP92A, TRP92B, TYR135A, TYR135B, TYR139A, TYR139B, TYR156A, TYR156B, TYR167A, TYR167B, TYR183A, TYR183B, TYR208A, TYR208B, TYR219A, TYR219B, TYR272A, TYR272B, TYR285A, TYR285B, VAL121A, VAL121B, VAL145A, VAL145B, VAL146A, VAL146B, VAL152A, VAL152B, VAL165A, VAL165B, VAL169A, VAL169B, VAL178A, VAL178B, VAL255A, VAL255B, VAL276A, VAL276B, VAL281A, VAL281B, VAL83A, VAL83B
• A-C: ASN171A, ASP38C, GLN163A, GLU153A, GLU173A, GLU351C, GLU36C, HIS40C, ILE5C, LEU168A, LEU37C, LEU39C, LYS151A, LYS164A, LYS4C, PHE32C, PRO158A, PRO33C, SER41C, SER6C, THR155A, THR162A, THR166A, TYR156A, TYR167A, TYR34C, VAL165A
• B-C: ALA51B, ALA60B, ARG20C, ASN393C, ASN53B, ASP160B, ASP399C, ASP50B, ASP54B, ASP59B, GLN320C, GLN55B, GLN90B, GLU24C, GLU28C, GLU324C, GLU396C, GLU47C, GLU62B, GLY161B, GLY322C, GLY402C, HIS40C, ILE21C, ILE22C, LEU25C, LYS29C, LYS400C, LYS58B, LYS66B, LYS66C, LYS89B, LYS93B, MET18C, MET398C, PHE395C, PHE397C, SER159B, SER41B, THR325C, THR394C, THR52B, THR57B, TRP92B, TYR316C, TYR319C, TYR42B, VAL56B