3KKK

y92c catalytic residue mutant of phosphoglycerate mutase from plasmodium falciparum

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 89
  • Norm. En. per Res.: -3.5621
• 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	-79.4779	-42.105	-195.445	-317.028	89	20	3	8553	6	20	35
A-C	0.0	0.0	-0.382	-0.382	6	0	1	110	0	2	4
A-D	-11.9003	-77.9688	-149.759	-239.6281	79	5	2	6655	6	35	27
B-C	-10.8953	-80.429	-144.062	-235.3862	80	7	2	6441	7	35	28
B-D	0.0	0.0	-0.0713	-0.0713	5	0	0	42	0	2	1
C-D	-66.2027	-40.8347	-173.68	-280.7174	92	15	3	8571	6	20	32

Interface residues

• A-B: ALA63A, ALA63B, ALA67A, ALA67B, ALA74A, ARG62A, ARG62B, ASN137A, ASN137B, ASN142A, ASN142B, ASN176A, ASN176B, ASN69A, ASN69B, ASP27A, ASP27B, ASP53A, ASP53B, ASP75A, ASP75B, CYS65A, CYS65B, GLU35A, GLU35B, HIS78A, HIS78B, ILE64A, ILE64B, LEU30A, LEU30B, LEU60A, LEU60B, LEU71A, LEU71B, LEU76A, LEU76B, LEU77A, LEU77B, LYS141A, LYS141B, LYS177A, LYS177B, LYS178A, LYS178B, LYS46B, LYS51A, LYS51B, LYS61A, LYS61B, LYS72A, LYS72B, LYS83A, LYS83B, PHE52A, PHE52B, PRO29A, PRO29B, PRO80A, PRO80B, SER58A, SER58B, THR57A, THR57B, THR66A, THR66B, THR73A, THR73B, TRP68A, TRP68B, TYR140A, TYR140B, VAL138A, VAL138B, VAL139A, VAL139B, VAL54A, VAL55A, VAL55B, VAL59A, VAL59B, VAL70A, VAL70B, VAL79A, VAL79B, VAL81A, VAL81B, VAL82A, VAL82B
• A-C: ALA175A, ALA175C, ASN176A, ASN176C, LYS177A, LYS177C
• A-D: ALA147A, ALA147D, ALA170A, ALA170D, ALA175A, ALA175D, ARG160A, ARG160D, ARG86A, ARG86D, ASN142A, ASN142D, ASN197A, ASN221A, ASN221D, ASP146A, ASP146D, ASP167A, ASP167D, ASP172A, ASP172D, ASP219A, GLU159A, GLU159D, GLU220A, GLU220D, GLY135A, GLY135D, HIS168A, HIS168D, HIS194A, HIS194D, ILE169A, ILE169D, ILE173A, ILE173D, LEU148A, LEU148D, LEU162A, LEU162D, LEU174A, LEU174D, LEU195A, LEU195D, LEU222A, LEU222D, LYS128A, LYS128D, LYS141A, LYS141D, LYS145A, LYS145D, LYS155A, LYS155D, LYS223A, LYS223D, PHE164A, PHE164D, PHE166A, PHE166D, PRO144A, PRO144D, PRO163A, PRO163D, PRO171A, PRO171D, PRO224A, THR84A, THR84D, TRP133A, TRP133D, TRP165A, TRP165D, TRP85A, TRP85D, TYR140A, TYR140D, VAL143A, VAL143D
• B-C: ALA147B, ALA147C, ALA170B, ALA170C, ALA175B, ALA175C, ARG160B, ARG160C, ARG86B, ARG86C, ASN142B, ASN142C, ASN176C, ASN197C, ASN221B, ASN221C, ASP146B, ASP146C, ASP167B, ASP167C, ASP172B, ASP172C, ASP219C, GLU159B, GLU159C, GLU220B, GLU220C, GLY135B, HIS168B, HIS168C, HIS194B, HIS194C, ILE169B, ILE169C, ILE173B, ILE173C, LEU148B, LEU148C, LEU162B, LEU162C, LEU174B, LEU174C, LEU195B, LEU195C, LEU222B, LEU222C, LYS128B, LYS128C, LYS141B, LYS141C, LYS145B, LYS145C, LYS155B, LYS155C, LYS223B, LYS223C, PHE164B, PHE164C, PHE166B, PHE166C, PRO144B, PRO144C, PRO163B, PRO163C, PRO171B, PRO171C, PRO224C, THR84B, THR84C, TRP133B, TRP133C, TRP165B, TRP165C, TRP85B, TRP85C, TYR140B, TYR140C, VAL143B, VAL143C, VAL161C
• B-D: ALA175B, ALA175D, ASN176D, LYS177B, LYS177D
• C-D: ALA63C, ALA63D, ALA67C, ALA67D, ALA74C, ALA74D, ARG62C, ARG62D, ASN137C, ASN137D, ASN142C, ASN142D, ASN176C, ASN176D, ASN69C, ASN69D, ASP27C, ASP27D, ASP53C, ASP53D, ASP75C, ASP75D, CYS65C, CYS65D, GLU35C, GLU35D, HIS78C, HIS78D, ILE64C, ILE64D, LEU30C, LEU30D, LEU60C, LEU60D, LEU71C, LEU71D, LEU76C, LEU76D, LEU77C, LEU77D, LYS141C, LYS141D, LYS177C, LYS177D, LYS178C, LYS178D, LYS46D, LYS51C, LYS51D, LYS61C, LYS61D, LYS72C, LYS72D, LYS83C, LYS83D, PHE52C, PHE52D, PRO29C, PRO29D, PRO80C, PRO80D, SER58C, SER58D, THR57C, THR57D, THR66C, THR66D, THR73C, THR73D, THR84C, TRP68C, TRP68D, TYR140C, TYR140D, VAL138C, VAL138D, VAL139C, VAL139D, VAL54C, VAL54D, VAL55C, VAL55D, VAL59C, VAL59D, VAL70C, VAL70D, VAL79C, VAL79D, VAL81C, VAL81D, VAL82C, VAL82D