Summary Geometry PCM/PTM Related PDB entries

CN1

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
FE1	O13	sing	2.04Å	1.88Å
FE1	O12	sing	2.04Å	1.88Å
FE1	O1A	sing	2.04Å	1.99Å
FE1	O1B	sing	2.04Å	1.98Å
FE1	O1U	sing	2.04Å	1.93Å
FE2	O23	sing	2.04Å	1.81Å
FE2	O2A	sing	2.04Å	1.92Å
FE2	O2B	sing	2.04Å	1.96Å
FE2	O2U	sing	2.04Å	1.95Å
FE3	O3A	sing	2.04Å	1.96Å
FE3	O3B	sing	2.04Å	2.01Å
FE3	O3U	sing	2.04Å	1.93Å
FE3	O23	sing	2.04Å	1.78Å
FE3	O13	sing	2.04Å	1.50Å
O3A	H3A	sing	0.87Å	0.95Å
O3B	H3B	sing	0.87Å	0.95Å
O1A	H1A	sing	0.87Å	0.95Å
O1B	H1B	sing	0.87Å	0.95Å
O1U	H1U	sing	0.87Å	0.95Å
O2A	H2A	sing	0.86Å	0.95Å
O2B	H2B	sing	0.87Å	0.95Å
O2U	H2U	sing	0.87Å	0.95Å
FE2	O12	sing	2.04Å	2.33Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O13	FE1	O12	106.6°	90.0°
O13	FE1	O1A	111.0°	92.4°
O13	FE1	O1B	135.3°	175.2°
O13	FE1	O1U	61.8°	90.0°
FE1	O13	FE3	124.3°	122.4°
O12	FE1	O1A	109.5°	90.0°
O12	FE1	O1B	104.0°	90.0°
O12	FE1	O1U	155.2°	180.0°
FE1	O12	FE2	121.1°	130.0°
O1A	FE1	O1B	87.9°	92.4°
O1A	FE1	O1U	95.3°	90.0°
FE1	O1A	H1A	109.5°	109.5°
O1B	FE1	O1U	76.8°	90.0°
FE1	O1B	H1B	109.5°	109.4°
FE1	O1U	H1U	109.5°	109.5°
O23	FE2	O2A	110.2°	92.4°
O23	FE2	O2B	81.8°	90.0°
O23	FE2	O2U	153.3°	175.2°
FE2	O23	FE3	116.3°	105.9°
O23	FE2	O12	106.4°	90.0°
O2A	FE2	O2B	89.2°	90.0°
O2A	FE2	O2U	94.0°	92.4°
FE2	O2A	H2A	109.5°	109.5°
O2A	FE2	O12	113.6°	90.0°
O2B	FE2	O2U	87.8°	90.0°
FE2	O2B	H2B	109.5°	109.4°
O2B	FE2	O12	149.8°	180.0°
FE2	O2U	H2U	109.5°	109.5°
O2U	FE2	O12	71.8°	90.0°
O3A	FE3	O3B	92.3°	92.4°
O3A	FE3	O3U	87.3°	90.0°
O3A	FE3	O23	72.1°	92.4°
O3A	FE3	O13	83.0°	90.0°
FE3	O3A	H3A	109.5°	109.5°
O3B	FE3	O3U	87.8°	90.0°
O3B	FE3	O23	131.6°	175.2°
O3B	FE3	O13	102.1°	90.0°
FE3	O3B	H3B	109.5°	109.4°
O3U	FE3	O23	47.1°	90.0°
O3U	FE3	O13	166.3°	180.0°
O23	FE3	O13	120.2°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O13	FE1	O12	O1A	120.2°	92.4°
O13	FE1	O12	O1B	147.0°	175.2°
O13	FE1	O12	O1U	58.1°	45.0°
O13	FE1	O1A	O1B	138.4°	180.0°
O13	FE1	O1A	O1U	61.8°	90.0°
O13	FE1	O1B	O1U	22.3°	89.6°
FE1	O13	FE3	O3A	127.7°	169.4°
FE1	O13	FE3	O3B	141.4°	98.2°
FE1	O13	FE3	O3U	82.8°	55.9°
FE1	O13	FE3	O23	63.2°	77.0°
O13	FE1	O1A	H1A	180.0°	3.8°
O13	FE1	O1B	H1B	180.0°	6.0°
O13	FE1	O1U	H1U	180.0°	29.2°
O13	FE1	O12	FE2	4.0°	53.3°
O12	FE1	O1A	O1B	104.1°	90.0°
O12	FE1	O1A	O1U	179.3°	180.0°
O12	FE1	O1B	O1U	154.5°	180.0°
FE1	O12	FE2	O23	3.9°	67.3°
FE1	O12	FE2	O2A	125.4°	159.7°
FE1	O12	FE2	O2B	98.2°	27.2°
FE1	O12	FE2	O2U	148.2°	107.9°
O12	FE1	O13	FE3	32.4°	56.3°
O12	FE1	O1A	H1A	62.6°	86.2°
O12	FE1	O1B	H1B	47.9°	84.4°
O12	FE1	O1U	H1U	112.6°	15.8°
O1A	FE1	O1B	O1U	95.9°	90.0°
O1A	FE1	O13	FE3	151.6°	146.3°
O1A	FE1	O1B	H1B	61.7°	174.4°
O1A	FE1	O1U	H1U	69.0°	121.6°
O1A	FE1	O12	FE2	124.2°	145.7°
O1B	FE1	O13	FE3	98.9°	34.1°
O1B	FE1	O1A	H1A	41.6°	176.3°
O1B	FE1	O1U	H1U	17.7°	146.0°
O1B	FE1	O12	FE2	143.0°	121.9°
O1U	FE1	O13	FE3	123.7°	123.7°
O1U	FE1	O1A	H1A	118.2°	93.7°
O1U	FE1	O1B	H1B	157.7°	95.6°
O1U	FE1	O12	FE2	54.1°	8.4°
O23	FE2	O2A	O2B	81.0°	90.0°
O23	FE2	O2A	O2U	168.7°	180.0°
O23	FE2	O2A	O12	119.4°	90.0°
O23	FE2	O2B	O2U	155.4°	175.2°
O23	FE2	O2B	O12	108.7°	94.5°
O23	FE2	O2U	O12	90.5°	90.5°
FE2	O23	FE3	O3A	127.5°	174.7°
FE2	O23	FE3	O3B	155.8°	5.6°
FE2	O23	FE3	O3U	129.1°	95.3°
FE2	O23	FE3	O13	57.1°	84.6°
O23	FE2	O2A	H2A	180.0°	52.0°
O23	FE2	O2B	H2B	13.8°	30.2°
O23	FE2	O2U	H2U	180.0°	61.5°
O2A	FE2	O2B	O2U	94.0°	92.4°
O2A	FE2	O2B	O12	140.7°	173.1°
O2A	FE2	O2U	O12	113.6°	90.0°
O2A	FE2	O23	FE3	148.2°	167.6°
O2A	FE2	O2B	H2B	124.4°	122.6°
O2A	FE2	O2U	H2U	24.1°	118.0°
O2B	FE2	O2U	O12	157.3°	180.0°
O2B	FE2	O23	FE3	125.7°	102.4°
O2B	FE2	O2A	H2A	99.0°	37.9°
O2B	FE2	O2U	H2U	113.2°	28.0°
O2U	FE2	O23	FE3	57.5°	12.9°
O2U	FE2	O2A	H2A	11.3°	127.9°
O2U	FE2	O2B	H2B	141.6°	145.0°
O3A	FE3	O3B	O3U	87.2°	90.0°
O3A	FE3	O3B	O23	67.9°	179.8°
O3A	FE3	O3B	O13	83.3°	90.0°
O3A	FE3	O3U	O23	67.9°	92.4°
O3A	FE3	O3U	O13	44.6°	134.7°
O3A	FE3	O23	O13	70.3°	90.0°
O3A	FE3	O3B	H3B	87.2°	60.9°
O3B	FE3	O3U	O23	160.3°	175.2°
O3B	FE3	O3U	O13	137.0°	42.3°
O3B	FE3	O23	O13	147.0°	90.2°
O3B	FE3	O3A	H3A	87.8°	69.5°
O3U	FE3	O23	O13	173.8°	180.0°
O3U	FE3	O3A	H3A	0.0°	20.5°
O3U	FE3	O3B	H3B	0.0°	29.1°
O23	FE3	O3A	H3A	45.5°	110.5°
O23	FE3	O3B	H3B	19.3°	118.9°
FE3	O23	FE2	O12	24.5°	77.6°
O13	FE3	O3A	H3A	170.3°	159.5°
O13	FE3	O3B	H3B	170.5°	150.9°
H2A	O2A	FE2	O12	60.6°	142.1°
H2B	O2B	FE2	O12	94.8°	64.3°
H2U	O2U	FE2	O12	89.5°	151.9°

Definition date:	2003-10-16
Last modified:	2026-07-31
Release status:	REL
Processing site:	RCSB