3AWJ

crystal structure of the huperzia serrata polyketide synthase 1 complexed with coa-sh

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 219
  • Norm. En. per Res.: -4.9747
• Hub Node: A(1)

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	-202.8635	-225.3073	-661.286	-1089.4569	219	35	10	25708	18	93	57

Interface residues

• A-B: ALA150A, ALA150B, ALA155A, ALA155B, ALA184A, ALA184B, ALA188A, ALA188B, ALA252A, ALA252B, ALA255A, ALA255B, ALA263A, ALA263B, ALA271A, ALA271B, ALA27A, ALA27B, ALA99A, ALA99B, ARG104A, ARG104B, ARG161A, ARG161B, ARG166A, ARG166B, ARG182A, ARG182B, ARG269A, ARG269B, ASN190A, ASN190B, ASN191A, ASN191B, ASN265A, ASN265B, ASP102A, ASP102B, ASP106A, ASP106B, ASP146A, ASP146B, ASP151A, ASP151B, ASP186A, ASP186B, ASP24A, ASP24B, ASP261A, ASP261B, GLN105A, GLN105B, GLN153A, GLN153B, GLN171A, GLN171B, GLN172A, GLN172B, GLU189A, GLU189B, GLU254A, GLU254B, GLU270A, GLU270B, GLU295A, GLU295B, GLU390A, GLU390B, GLU98A, GLU98B, GLY144A, GLY144B, GLY149A, GLY149B, GLY173A, GLY173B, GLY253A, GLY253B, GLY25A, GLY25B, GLY262A, GLY262B, GLY266A, GLY266B, GLY272A, GLY272B, GLY384A, GLY384B, GLY386A, GLY386B, HIS136A, HIS136B, HIS250A, HIS250B, HIS267A, HIS267B, HIS276A, HIS276B, ILE107A, ILE107B, ILE21A, ILE21B, ILE264A, ILE264B, ILE274A, ILE274B, LEU101A, LEU101B, LEU137A, LEU137B, LEU160A, LEU160B, LEU169A, LEU169B, LEU187A, LEU187B, LEU257A, LEU257B, LEU268A, LEU268B, LEU273A, LEU273B, LEU387A, LEU387B, LYS156A, LYS156B, LYS165A, LYS165B, LYS185A, LYS185B, LYS22A, LYS22B, LYS291A, LYS291B, LYS97A, LYS97B, MET147A, MET147B, MET168A, MET168B, PHE139A, PHE139B, PHE152A, PHE152B, PHE225A, PHE225B, PHE275A, PHE275B, PRO103A, PRO103B, PRO148A, PRO148B, PRO162A, PRO162B, PRO23A, PRO23B, PRO258A, PRO258B, PRO26A, PRO26B, PRO296A, PRO385A, PRO385B, SER100A, SER100B, SER143A, SER236A, SER236B, SER260A, SER260B, SER348A, SER92A, SER92B, THR135A, THR135B, THR142A, THR142B, THR163A, THR163B, THR179A, THR179B, THR207A, THR207B, THR388A, THR388B, THR391A, THR391B, TRP251A, TRP251B, TYR170A, TYR170B, TYR175A, TYR175B, TYR299A, TYR299B, VAL109A, VAL109B, VAL138A, VAL138B, VAL145A, VAL145B, VAL164A, VAL164B, VAL167A, VAL167B, VAL180A, VAL180B, VAL183A, VAL183B, VAL206A, VAL206B, VAL20A, VAL20B, VAL256A, VAL256B, VAL292A, VAL292B, VAL389A, VAL389B