Summary Geometry PCM/PTM Related PDB entries

HC0

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
FE1	S1	sing	0.00Å	2.31Å
FE1	S2	sing	0.00Å	2.41Å
FE1	C3	sing	0.00Å	1.83Å
FE1	C4	sing	0.00Å	1.83Å
FE1	C5	sing	0.00Å	2.12Å
FE2	S1	sing	0.00Å	2.31Å
FE2	S2	sing	0.00Å	2.29Å
FE2	C5	sing	0.00Å	2.12Å
FE2	C6	sing	0.00Å	1.85Å
FE2	C7	sing	0.00Å	1.82Å
FE2	C8	sing	0.00Å	1.80Å
O1	HO11	sing	0.00Å	0.95Å
O1	HO12	sing	0.00Å	0.95Å
O8	C8	trip	0.00Å	1.12Å
O3	C3	trip	0.00Å	1.12Å
O4	C4	trip	0.00Å	1.14Å
O5	C5	doub	0.00Å	1.12Å
O6	C6	trip	0.00Å	1.13Å
O7	C7	trip	0.00Å	1.11Å
S2	O1	sing	0.00Å	2.66Å
O1	S1	sing	0.00Å	2.67Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
S1	FE1	S2	78.6°	90.0°
S1	FE1	C3	173.2°	90.0°
S1	FE1	C4	92.0°	90.0°
S1	FE1	C5	96.5°	90.0°
FE1	S1	FE2	68.3°	90.0°
FE1	S1	O1	99.5°	90.0°
S2	FE1	C3	94.6°	90.0°
S2	FE1	C4	169.9°	90.0°
S2	FE1	C5	90.4°	90.0°
FE1	S2	FE2	67.0°	90.0°
FE1	S2	O1	97.1°	90.0°
C3	FE1	C4	94.8°	90.0°
C3	FE1	C5	83.3°	90.0°
FE1	C3	O3	178.8°	90.0°
C4	FE1	C5	87.0°	90.0°
FE1	C4	O4	177.9°	90.0°
FE1	C5	FE2	75.5°	90.0°
FE1	C5	O5	134.2°	90.0°
S1	FE2	S2	81.2°	90.0°
S1	FE2	C5	96.4°	90.0°
S1	FE2	C6	173.7°	90.0°
S1	FE2	C7	94.2°	90.0°
S1	FE2	C8	86.7°	90.0°
FE2	S1	O1	89.6°	90.0°
S2	FE2	C5	93.8°	90.0°
S2	FE2	C6	92.6°	90.0°
S2	FE2	C7	175.4°	90.0°
S2	FE2	C8	87.3°	90.0°
FE2	S2	O1	90.2°	90.0°
C5	FE2	C6	84.0°	90.0°
C5	FE2	C7	86.9°	90.0°
C5	FE2	C8	176.9°	90.0°
FE2	C5	O5	134.7°	90.0°
C6	FE2	C7	92.0°	90.0°
C6	FE2	C8	93.0°	90.0°
FE2	C6	O6	177.0°	90.0°
C7	FE2	C8	92.3°	90.0°
FE2	C7	O7	178.6°	90.0°
FE2	C8	O8	178.5°	90.0°
HO11	O1	HO12	109.5°	90.0°
HO11	O1	S2	118.5°	90.0°
HO11	O1	S1	118.5°	90.0°
HO12	O1	S2	118.5°	90.0°
HO12	O1	S1	118.5°	90.0°
S2	O1	S1	68.4°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
S1	FE1	S2	C3	179.9°	90.0°
S1	FE1	S2	C4	21.5°	90.0°
S1	FE1	S2	C5	96.6°	90.0°
S1	FE1	C3	C4	175.1°	90.0°
S1	FE1	C3	C5	88.7°	90.0°
S1	FE1	C4	C5	96.4°	90.0°
FE1	S1	FE2	O1	100.4°	90.0°
S1	FE1	S2	FE2	55.9°	90.0°
S1	FE1	C5	FE2	36.7°	90.0°
FE1	S1	FE2	C6	58.3°	90.0°
FE1	S1	FE2	C7	122.1°	90.0°
FE1	S1	FE2	C8	145.8°	90.0°
FE1	S1	O1	HO11	141.6°	90.0°
FE1	S1	O1	HO12	81.8°	90.0°
S1	FE1	C3	O3	53.1°	90.0°
S1	FE1	C4	O4	1.1°	90.0°
S1	FE1	C5	O5	102.8°	90.0°
S1	FE1	S2	O1	31.3°	90.0°
S2	FE1	C3	C4	176.3°	90.0°
S2	FE1	C3	C5	89.9°	90.0°
S2	FE1	C4	C5	75.4°	90.0°
FE1	S2	FE2	O1	97.7°	90.0°
S2	FE1	C5	FE2	41.9°	90.0°
FE1	S2	FE2	C6	124.8°	90.0°
FE1	S2	FE2	C7	56.9°	90.0°
FE1	S2	FE2	C8	142.3°	90.0°
FE1	S2	O1	HO11	140.0°	90.0°
FE1	S2	O1	HO12	83.3°	90.0°
S2	FE1	C3	O3	54.3°	90.0°
S2	FE1	C4	O4	22.2°	90.0°
S2	FE1	C5	O5	178.6°	90.0°
C3	FE1	C4	C5	83.0°	90.0°
C3	FE1	S1	FE2	53.1°	90.0°
C3	FE1	S2	FE2	123.9°	90.0°
C3	FE1	C5	FE2	136.5°	90.0°
C3	FE1	C4	O4	179.5°	90.0°
C3	FE1	C5	O5	84.0°	90.0°
C3	FE1	S2	O1	148.9°	90.0°
C3	FE1	S1	O1	32.6°	90.0°
C4	FE1	S1	FE2	122.0°	90.0°
C4	FE1	S2	FE2	34.4°	90.0°
C4	FE1	C5	FE2	128.3°	90.0°
C4	FE1	C3	O3	122.0°	90.0°
C4	FE1	C5	O5	11.2°	90.0°
C4	FE1	S2	O1	52.8°	90.0°
C4	FE1	S1	O1	152.3°	90.0°
FE1	C5	FE2	O5	139.2°	90.0°
FE1	C5	FE2	C6	137.0°	90.0°
FE1	C5	FE2	C7	130.6°	90.0°
FE1	C5	FE2	C8	154.6°	90.0°
C5	FE1	C3	O3	35.6°	90.0°
C5	FE1	C4	O4	97.6°	90.0°
C5	FE1	S2	O1	127.9°	90.0°
C5	FE1	S1	O1	120.6°	90.0°
S1	FE2	S2	C5	95.9°	90.0°
S1	FE2	S2	C6	180.0°	90.0°
S1	FE2	S2	C7	1.7°	90.0°
S1	FE2	S2	C8	87.1°	90.0°
S1	FE2	C5	C6	173.7°	90.0°
S1	FE2	C5	C7	93.9°	90.0°
S1	FE2	C5	C8	168.8°	90.0°
S1	FE2	C6	C7	179.6°	90.0°
S1	FE2	C6	C8	87.2°	90.0°
S1	FE2	C7	C8	86.8°	90.0°
FE2	S1	O1	HO11	73.7°	90.0°
FE2	S1	O1	HO12	149.7°	90.0°
S1	FE2	C8	O8	37.6°	90.0°
S1	FE2	C5	O5	102.5°	90.0°
S1	FE2	C6	O6	86.5°	90.0°
S1	FE2	C7	O7	129.0°	90.0°
S1	FE2	S2	O1	42.5°	90.0°
S2	FE2	C5	C6	92.2°	90.0°
S2	FE2	C5	C7	175.4°	90.0°
S2	FE2	C5	C8	109.7°	90.0°
S2	FE2	C6	C7	179.9°	90.0°
S2	FE2	C6	C8	87.4°	90.0°
S2	FE2	C7	C8	85.2°	90.0°
FE2	S2	O1	HO11	73.2°	90.0°
FE2	S2	O1	HO12	150.2°	90.0°
S2	FE2	C8	O8	118.9°	90.0°
S2	FE2	C5	O5	176.0°	90.0°
S2	FE2	C6	O6	86.3°	90.0°
S2	FE2	C7	O7	130.6°	90.0°
C5	FE2	C6	C7	86.6°	90.0°
C5	FE2	C6	C8	179.1°	90.0°
C5	FE2	C7	C8	177.0°	90.0°
C5	FE2	C8	O8	131.2°	90.0°
C5	FE2	C6	O6	7.3°	90.0°
C5	FE2	C7	O7	32.8°	90.0°
C5	FE2	S2	O1	138.3°	90.0°
C5	FE2	S1	O1	135.2°	90.0°
C6	FE2	C7	C8	93.1°	90.0°
C6	FE2	C8	O8	148.6°	90.0°
C6	FE2	C5	O5	83.8°	90.0°
C6	FE2	C7	O7	51.1°	90.0°
C6	FE2	S2	O1	137.5°	90.0°
C6	FE2	S1	O1	42.1°	90.0°
C7	FE2	C8	O8	56.5°	90.0°
C7	FE2	C5	O5	8.6°	90.0°
C7	FE2	C6	O6	93.9°	90.0°
C7	FE2	S2	O1	40.8°	90.0°
C7	FE2	S1	O1	137.5°	90.0°
C8	FE2	C5	O5	66.3°	90.0°
C8	FE2	C6	O6	173.7°	90.0°
C8	FE2	C7	O7	144.2°	90.0°
C8	FE2	S2	O1	44.6°	90.0°
C8	FE2	S1	O1	45.4°	90.0°
HO11	O1	HO12	S2	140.3°	90.0°
HO11	O1	HO12	S1	140.2°	90.0°
HO11	O1	S2	S1	111.7°	90.0°
HO12	O1	S2	S1	111.7°	90.0°

Definition date:	1999-08-24
Last modified:	2026-07-31
Release status:	REL
Processing site:	RCSB
Derived from:	1C4C