2XZ0

the structure of the 2:1 (partially occupied) complex between stearoyl acyl carrier protein desaturase from ricinus communis (castor bean) and acyl carrier protein.

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 50
  • Norm. En. per Res.: -4.055
• Hub Node: B(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	-118.0928	-63.3498	-732.951	-914.3936	241	30	4	29067	10	82	85
B-C	-19.2382	12.3482	-47.7339	-54.6239	45	27	0	3444	0	23	30
B-D	-37.5271	-89.6586	-75.565	-202.7507	50	15	2	3836	8	39	17
C-D	-13.4555	-91.1535	-105.253	-209.862	60	16	0	4864	2	53	37

Interface residues

• A-B: ALA107A, ALA107B, ALA127A, ALA127B, ALA133A, ALA133B, ALA138A, ALA138B, ALA141A, ALA141B, ALA72A, ALA72B, ARG122A, ARG122B, ARG137A, ARG137B, ARG145A, ARG145B, ARG159A, ARG159B, ARG163A, ARG163B, ARG180A, ARG180B, ARG22A, ARG22B, ARG231A, ARG231B, ARG274A, ARG274B, ARG359A, ARG359B, ARG81A, ARG81B, ARG84A, ARG84B, ASN116A, ASN116B, ASN144A, ASN144B, ASN151A, ASN151B, ASN183A, ASN183B, ASP123A, ASP123B, ASP148A, ASP148B, ASP161A, ASP161B, ASP178A, ASP178B, ASP228A, ASP228B, ASP272A, ASP272B, ASP66A, ASP66B, ASP70A, ASP70B, ASP74A, ASP74B, ASP77A, ASP77B, CYS61A, CYS61B, GLN112A, GLN112B, GLN164A, GLN164B, GLN170A, GLN170B, GLN27A, GLN27B, GLN63A, GLN63B, GLN65A, GLN65B, GLN79A, GLN79B, GLU106A, GLU106B, GLU124A, GLU124B, GLU142A, GLU142B, GLU143A, GLU143B, GLU166A, GLU166B, GLU182A, GLU182B, GLU23A, GLU23B, GLU59A, GLU59B, GLY126A, GLY126B, GLY158A, GLY158B, GLY174A, GLY174B, GLY176A, GLY176B, GLY273A, GLY273B, GLY75A, GLY75B, HIS146A, HIS232A, HIS232B, HIS268A, HIS268B, HIS30A, HIS30B, ILE103B, ILE134A, ILE134B, ILE165A, ILE165B, ILE169A, ILE169B, ILE173A, ILE173B, LEU108A, LEU108B, LEU115A, LEU115B, LEU118B, LEU149A, LEU149B, LEU150B, LEU154A, LEU154B, LEU156A, LEU156B, LEU172A, LEU172B, LEU269A, LEU269B, LEU52A, LEU52B, LEU55A, LEU55B, LEU68A, LEU68B, LEU83A, LEU83B, LYS152A, LYS152B, LYS167A, LYS167B, LYS56A, LYS56B, LYS60A, LYS60B, MET102A, MET102B, MET114A, MET114B, MET162A, MET162B, MET177A, MET177B, MET19A, MET19B, PHE18A, PHE18B, PHE357A, PHE357B, PHE67A, PHE67B, PHE76A, PHE76B, PRO109A, PRO109B, PRO129A, PRO129B, PRO179A, PRO179B, PRO20A, PRO20B, PRO57A, PRO57B, PRO64A, PRO64B, PRO69A, PRO69B, PRO71A, PRO71B, SER128A, SER128B, SER157A, SER157B, SER175A, SER175B, SER73A, SER73B, THR110A, THR110B, THR113A, THR113B, THR117A, THR117B, THR125A, THR125B, THR130A, THR136A, THR136B, THR140A, THR140B, THR168A, THR168B, THR181A, THR181B, THR29A, THR29B, TRP135A, TRP135B, TRP139A, TRP139B, TRP62A, TRP62B, TYR111A, TYR111B, TYR153A, TYR153B, TYR155A, TYR155B, TYR171A, TYR171B, TYR271A, TYR271B, VAL160A, VAL160B, VAL28A, VAL28B, VAL58A, VAL58B, VAL80A, VAL80B
• B-C: ALA256C, ALA318C, ALA323C, ALA341B, ARG260C, ARG329B, ARG329C, ARG333B, ARG333C, ARG335B, ARG336B, ARG340B, ASP299B, ASP311B, ASP311C, ASP325B, ASP325C, CYS328B, CYS328C, GLN321C, GLN324C, GLU302B, GLU319C, GLU338B, GLU339B, GLY320C, GLY343B, ILE334B, LEU316C, LEU330B, LEU337B, LYS295B, LYS312B, LYS312C, LYS322C, PRO331B, PRO332B, PRO332C, SER317C, THR314C, TYR326B, TYR326C, VAL252C, VAL327B, VAL327C
• B-D: ALA18D, ALA341B, ALA345B, ALA36D, ALA61D, ARG260B, ARG329B, ARG333B, ARG336B, ARG340B, ARG344B, ASN47D, ASN55D, ASP37D, ASP40D, ASP57D, ASP59D, GLN342B, GLU338B, GLU339B, GLU43D, GLU49D, GLU50D, GLU51D, GLU58D, GLY35D, GLY53D, ILE334B, ILE44D, ILE54D, LEU17D, LEU19D, LEU330B, LEU337B, LEU39D, LEU48D, LYS16D, LYS262B, LYS322B, LYS346B, LYS60D, MET259B, MET46D, PRO332B, THR41D, TYR297B, TYR326B, VAL42D, VAL45D, VAL56D
• C-D: ALA18D, ALA21D, ALA341C, ALA345C, ARG180C, ARG260C, ARG329C, ARG333C, ARG335C, ARG336C, ARG340C, ARG344C, ASN47D, ASP11D, ASP325C, ASP7D, GLN342C, GLU15D, GLU338C, GLU339C, GLU43D, GLU49D, GLU4D, GLU50D, GLU51D, GLY20D, GLY343C, GLY53D, HIS25C, ILE12D, ILE334C, ILE44D, ILE67D, ILE6D, LEU17D, LEU19D, LEU330C, LEU337C, LEU48D, LYS14D, LYS16D, LYS262C, LYS322C, LYS346C, LYS3D, LYS81D, LYS8D, MET259C, MET46D, PHE52D, PRO332C, SER10D, THR26D, TYR326C, VAL13D, VAL24C, VAL24D, VAL25D, VAL45D, VAL9D